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Showing 106 of 106 peer-reviewed papers with full Graphical Abstracts.

Original ResearchVol. 54, Issue 3 • pp. 100-112DOI: 10.1016/S1872-5813(25)60604-9• Jan 15, 2026

Recent Advances in Carbon-Based Materials for CO2 Capture and Utilization

Authors: FU Lang, YAO Dingding, HU Qiang, YAN Shuiping, YANG Haiping

CO2 capture and utilization (CCU) technologies are critical for mitigating global warming and promoting resource circularity. Carbon-based materials, with tunable pore structures, abundant active sites, high specific surface area, and excellent chemical stability, show significant potential for CO2 capture and conversion. This review systematically analyzes the adsorption behaviors and performance variations of activated carbon, porous carbon, graphene, and carbon nanotubes in CO2 capture. For utilization, recent advances in catalytic applications for methanation, reverse water-gas shift (RWGS), dry reforming of methane (DRM), and alcohol synthesis are emphasized. The benefits and drawbacks of carbon materials regarding adsorption capacity, catalytic activity, and stability are evaluated, and their potential in integrated CCU technologies is discussed. Key strategies for enhancing performance through structural modulation and surface modification are elucidated. This review provides theoretical guidance for future development and large-scale implementation of carbon-based materials in CCU.

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Recent Advances in Carbon-Based Materials for CO2 Capture and Utilization

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Original ResearchVol. 54, Issue 3 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0021• Jan 15, 2026

Fabrication and Microwave Absorption Performance of FexOy/TiO2/C Composites Derived from Red Mud

Authors: LI Guomin, GUO Yujie, LI Lingxiao, JIA Kun, LIANG Liping

Red mud, an industrial solid waste from alumina production, poses severe environmental challenges. This study presents a resource-efficient strategy to convert red mud into high-performance microwave absorbing materials. FexOy/TiO2/C composites were synthesized via a sol-gel method using starch as carbon source, followed by carbothermal reduction. The phase composition and microstructure were optimized by adjusting calcination temperature and raw material ratio. The optimal sample, RmCT-5.4-700, exhibited a minimum reflection loss (RLmin) of -30.2 dB at 14.0 GHz with an effective absorption bandwidth (EAB) of 5.3 GHz at a coating thickness of 2.0 mm. The superior absorption performance is attributed to the synergistic effects of dielectric components (TiO2, graphitized carbon) and magnetic components (Fe3O4/Fe). Carbothermal reduction introduces defects that induce dipole polarization, while the conductive network formed by graphitized carbon and Fe3O4/Fe particles enhances conductive loss. Heterogeneous interfaces between Fe3O4, Fe, TiO2, and the red mud matrix promote interfacial polarization. The magnetic loss of Fe3O4/Fe improves impedance matching, facilitating electromagnetic wave penetration and absorption. This work not only provides a novel route for red mud valorization but also contributes to the high-value utilization of solid wastes.

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Fabrication and Microwave Absorption Performance of FexOy/TiO2/C Composites Derived from Red Mud

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Original ResearchVol. 54, Issue 3 • pp. 100-112DOI: 10.1016/S1872-5813(25)60600-1• Jan 15, 2026

Damage Mechanism of High Chromia Refractory in the Slag Tapping Hole of Commercial Entrained-Flow Gasifiers

Authors: PENG Baozi, LIU Zhen, BAI Jin, LI Huaizhu, SUN Kaidi, AN Haiquan, LI Jun

The service life of refractory bricks in the slag tapping hole of entrained-flow gasifiers is a critical bottleneck for long-term stable operation. This study investigated the damage mechanism of high chromia refractories in four commercial coal-water slurry gasifiers by analyzing gasification coal samples and corroded refractory bricks. Slag characteristics, including crystallization and viscosity-temperature behavior, were evaluated. Results revealed that low-viscosity slag induces more severe refractory damage. To mitigate slag crystallization risk, a safe slag tapping temperature range is recommended as tICT−t2.5 when tICT exceeds t25. Interior morphology of corroded bricks exhibited cracks, primarily attributed to molten slag penetration and subsequent reactions with refractory material. SEM-EDS analysis of slag-aggregate and slag-matrix interfaces identified reduction in Cr2O3 content as the earliest damage characteristic. XRD detected no zirconium-containing spinel in cracks, indicating that thermal expansion mismatch between newly formed phases and the refractory matrix drives crack propagation. A damage mechanism is proposed: initial Cr2O3 depletion compromises both matrix and aggregate, facilitating slag ingress and new phase formation, ultimately leading to structural failure. Early detection or prevention of Cr2O3 reduction is essential to prolong refractory service life.

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$Damage Mechanism of High Chromia Refractory in the Slag Tapping Hole of Commercial Entrained-Flow Gasifiers$

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Original ResearchVol. 54, Issue 3 • pp. 100-112DOI: 10.1016/S1872-5813(25)60617-7• Jan 15, 2026

Research advances in the pyrolysis recycling of waste wind turbine blades

Authors: LI Zhehan, WANG Xiaolu, LEI Fan, HAO Jianxiu, ZHOU Huacong, BAN Yanpeng, LI Na, ZHI Keduan, LIU Quansheng

The global energy landscape is undergoing a profound transformation, with wind energy gaining increasing prominence due to its clean and renewable nature. However, as installed wind power capacity expands, disposal of waste wind turbine blades (WWTB) has emerged as a significant challenge. These blades are predominantly composed of epoxy resin (EP) polymers, carbon fibers (CFs), and glass fibers (GFs). Improper disposal exacerbates environmental concerns and leads to loss of valuable resources, particularly carbon-based materials. Pyrolysis technology, a versatile and environmentally sustainable method for resource recovery, has garnered considerable attention for WWTB disposal. This work presents a comprehensive review of pyrolytic recycling of WWTB, focusing on principles and classifications of pyrolysis technology, key factors influencing the pyrolysis process, as well as pyrolysis methods, equipment, products, and their applications. Through in-depth analysis of current research, this review identifies critical unresolved issues and provides a forward-looking perspective on emerging research trends. The review highlights that pyrolysis can effectively recover glass fibers and carbon fibers with mechanical property retention depending on process conditions, and that catalytic pyrolysis can enhance the quality of recovered products. Economic analysis indicates that collaborative disposal methods can improve cost-effectiveness. Future research should focus on optimizing process parameters for large-scale industrial application and developing more efficient catalysts to improve product selectivity and fiber quality.

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Research advances in the pyrolysis recycling of waste wind turbine blades

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Original ResearchVol. 54, Issue 3 • pp. 100-112DOI: 10.1016/S1872-5813(25)60581-0• Jan 15, 2026

Citric Acid-Modified HUSY Zeolite Catalyzes Alkylation of Phenol with Cyclohexanol for High-Density Aviation Fuel Precursors

Authors: HUA Canhao, WU Jingfeng, ZHU Lingjun, XU Guangwen, WANG Shurong

Lignin-derived oxygenated aromatics, particularly phenols and aromatic ethers, are promising feedstocks for synthesizing high-density, high-heat-sink aviation fuels via alkylation-hydrogenation processes. This study systematically evaluates the catalytic performance of various zeolites (Hβ, HZSM-5, MCM-41, and HUSY) in the alkylation of phenol with cyclohexanol. Characterization demonstrates that HUSY zeolite exhibits superior catalytic activity due to its favorable pore architecture and well-balanced acid site distribution, which synergistically facilitate molecular diffusion and catalytic transformations. To further enhance catalytic properties, HUSY was modified with citric acid at various concentrations and compared with NaOH and oxalic acid treatments. Results reveal that citric acid treatment preserves crystallinity while modulating acidity and pore structure. All modified zeolites enhance phenol alkylation activity. Notably, HUSY-0.5M, exhibiting the highest medium-strong acid to total acid ratio, achieves superior performance: 80.4% phenol conversion and 99.6% selectivity for alkylation products. The catalyst also shows high activity for various lignin-derived compounds (p-cresol, anisole, guaiacol), demonstrating broad applicability. This work provides a new strategy for valorizing lignin-derived phenols into high-value fuel precursors through alkylation.

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Citric Acid-Modified HUSY Zeolite Catalyzes Alkylation of Phenol with Cyclohexanol for High-Density Aviation Fuel Precursors

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Original ResearchVol. 54, Issue 3 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0024• Jan 15, 2026

Hydrogen Production and Structure Evolution Mechanism during Thermochemical Conversion of Microalgae Pellet in Molten Hydroxide Salts

Authors: LI Jun, LEI Ling, CAO Wenxuan, ZHU Han, ZHONG Dian, ZENG Kuo, YANG Haiping, CHEN Hanping

This study investigates the thermochemical conversion behavior of microalgae pellets in a molten hydroxide salt (80% NaOH-20% Na2CO3) system and its influence on hydrogen production. By comparing temperature evolution, gas release characteristics, and structural evolution of pellets with and without molten salt, and integrating char alkalization experiments, the regulatory mechanism of molten salt on reaction pathways and hydrogen production was systematically analyzed. Results indicate that molten salt significantly enhances internal heat transfer efficiency, achieving a central heating rate of 177 °C/s, effectively alleviating thermal hysteresis. Concurrently, molten salt promotes pore development through penetration, erosion, and catalytic effects, resulting in a porosity increase of 53.2%–104.3% after 10 s of reaction. Conversion efficiency is markedly improved, with the dominant reaction pathway shifting to char alkalization after only 70 s. Furthermore, when heating rate is increased above 600 °C, hydrogen yield from char alkalization improves more significantly, primarily attributed to the synergistic promotion of molten salt catalysis and rapid heating on volatiles reforming. This study provides a theoretical foundation for understanding efficient hydrogen production from biomass in molten hydroxide salts.

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Hydrogen Production and Structure Evolution Mechanism during Thermochemical Conversion of Microalgae Pellet in Molten Hydroxide Salts

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Original ResearchVol. 54, Issue 3 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0026• Jan 15, 2026

Recent Advances in CO2 Hydrogenation to Light Olefins

Authors: ZHANG Qian, WANG Sen, ZHANG Tianfu, XU Lin, DONG Mei, FAN Weibin

The catalytic hydrogenation of carbon dioxide (CO2) to light olefins (C2–C4) represents a pivotal route for mitigating greenhouse gas emissions while producing high-value chemical feedstocks. This review systematically examines the two principal technological pathways: CO2-Fischer-Tropsch synthesis (CO2-FTO) and CO2-methanol-to-olefins (CO2-MTO). The CO2-FTO route couples reverse water-gas shift (RWGS) with Fischer-Tropsch synthesis, whereas CO2-MTO proceeds via methanol intermediate. Key challenges arise from the thermodynamic stability of CO2 (C=O bond dissociation energy ~750 kJ/mol) and kinetic limitations. The review critically evaluates the influence of catalyst promoters (e.g., Na, Mn, Cu), support structures, and surface defect site concentrations on CO2 activation and olefin selectivity. For zeolite-based catalysts, pore architecture and acidity are shown to govern methanol conversion to olefins. Representative data from the literature indicate that Fe-based catalysts with Na promotion achieve CO2 conversion up to 40% with olefin selectivity exceeding 50% under optimized conditions. The review underscores the necessity of integrating catalyst design with reactor engineering to overcome thermodynamic constraints and achieve industrially viable performance.

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Recent Advances in CO2 Hydrogenation to Light Olefins

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Original ResearchVol. 54, Issue 3 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0020• Jan 15, 2026

Cu3P@CuO Nanosheet Catalyst for Efficient Hydrolytic Hydrogen Production from Ammonia Borane

Authors: REN Wenting, CHEN Leiyun, SHEN Jiabei, XIE Jing, ZHAO Yudie, XU Lixin, WAN Chao

Ammonia borane (AB) is a promising hydrogen storage material due to its low molecular weight and high hydrogen content. The development of low-cost, high-activity catalysts for AB hydrolysis is critical for industrialization. In this work, CuO nanosheets (CuO NS) were synthesized via a solvothermal method under alkaline conditions using anhydrous copper chloride as precursor. Subsequently, low-temperature phosphating converted CuO NS into Cu3P@CuO nanosheets (Cu3P@CuO NS). The morphology and structure were characterized by SEM, TEM, AFM, XRD, and XPS. The catalytic performance for AB hydrolysis was evaluated, revealing that at a phosphating ratio of m(CuO NS)/m(NaH2PO2)=1 (0.1 g each), Cu3P@CuO NS exhibited excellent activity with a TOF of 57.23 min−1 and an apparent activation energy of 44.31 kJ/mol. The reaction followed pseudo-first-order kinetics with respect to catalyst amount and pseudo-zero-order kinetics with respect to AB concentration. The superior performance is attributed to the abundant active sites exposed by the nanosheet structure. Given the extremely low cost, Cu3P@CuO NS is a promising alternative to noble metal catalysts for hydrogen generation from AB.

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Cu3P@CuO Nanosheet Catalyst for Efficient Hydrolytic Hydrogen Production from Ammonia Borane

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Original ResearchVol. 54, Issue 3 • pp. 100-112DOI: 10.1016/S1872-5813(25)60607-4• Jan 15, 2026

Methanation Performance of Biomass Gasification Syngas over Alkali-Modified Ni/Al2O3 Monolithic Catalysts

Authors: XING Wanli, YANG Bingjie, ZHANG Wanli, KAI Xingping, ZHOU Quan, YANG Tianhua

The methanation of biomass gasification syngas (H2/CO = 3:1) was investigated over Ni/Al2O3 monolithic catalysts supported on cordierite, with a nominal Ni loading of 15 wt%. Catalysts were modified by treatment with 10% NaOH solution for 1 h and 2 h. Physicochemical properties were characterized by BET, TEM, H2-TPR, XRD, CO2-TPD, and TG. Results showed that the 2 h modification (15%Ni/Al2O3-2h) increased specific surface area, enhanced catalytic activity, and increased alkaline site density compared to the unmodified catalyst. Under optimized conditions (H2/CO volume ratio 3:1, space velocity 10000 mL/(g·h), temperature 400 °C), the 15%Ni/Al2O3-2h catalyst achieved a CO conversion of 97% and CH4 selectivity of 100%. Stability tests over 2 h showed that the CO conversion remained stable at approximately 98%, indicating excellent catalytic stability. The study demonstrates that alkali modification with 10% NaOH for 2 h significantly improves both the methanation performance and stability of Ni/Al2O3 monolithic catalysts, offering a promising route for synthetic natural gas production from biomass.

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Methanation Performance of Biomass Gasification Syngas over Alkali-Modified Ni/Al2O3 Monolithic Catalysts

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Original ResearchVol. 54, Issue 3 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0025• Jan 15, 2026

Effects of Endogenous Potassium and Calcium Ions on the Yields and Characteristics of Products from Corn Stalk Pyrolysis

Authors: CAI Hanle, ZHU Liang, CAI Wei, LU Weimiao, ZHANG Yutao, MA Zhongqing

Endogenous alkali and alkaline earth metals (AAEMs) in biomass ash and pyrolysis temperature significantly influence the properties of pyrolysis polygeneration products. This study selected potassium (K+) and calcium (Ca2+) as representative AAEMs, added them at mass ratios of 2%, 5%, and 7% to corn stover via impregnation, and conducted fixed-bed pyrolysis at 400, 500, and 600 °C to investigate the yields and compositions of gas, liquid, and solid products. Results showed that increasing metal ion concentration significantly increased biochar yield, with Ca2+ at 7% achieving 24.96% biochar yield, while bio-oil yield generally decreased. Ca2+ strongly promoted H2 formation due to its Lewis acidity, reaching 32.49% in gas at 7% concentration, and facilitated furan enrichment to 65.88%. K+ at low concentrations favored phenolic formation, while high concentrations promoted ketones and intensified bio-oil cracking. Increasing temperature from 400 to 600 °C decreased biochar yield and increased gas yield, with high temperatures enhancing secondary cracking and reforming, significantly raising H2 and CH4 yields while suppressing oxygenates. At 600 °C, K+ catalysis increased acids to 39.41%, while Ca2+ maintained furans at 65.89%. This study demonstrates that adjusting metal ion concentration and temperature enables directional regulation of high-value bio-oil components and high-energy gases, providing a theoretical basis for optimized biomass pyrolysis utilization.

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Effects of Endogenous Potassium and Calcium Ions on the Yields and Characteristics of Products from Corn Stalk Pyrolysis

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Original ResearchVol. 54, Issue 3 • pp. 100-112DOI: 10.1016/S1872-5813(25)60610-4• Jan 15, 2026

Metal-Free Brush-Like 3D Carbon Nitride Delivers Efficient Red-Light-Driven Photocatalysis

Authors: WANG Peng, HAN Yanling, LIU Yuanyuan, LU Pengfei, LI Xiao

In this study, melamine and cyanuric acid were used as precursors to form supramolecular crystals via hydrogen-bond-assisted self-assembly followed by hydrothermal treatment. Subsequent high-temperature calcination yielded a novel brush-like three-dimensional carbon nitride. The brush-like 3D architecture was found to expose more accessible active sites, markedly accelerate electron transfer, and suppress the recombination of photogenerated charge carriers. The resulting superoxide (O2•−) and hydroxyl (•OH) radicals generated via electron reduction were identified as the key reactive species in the photocatalytic process. Moreover, the surface of the brush-like structure is enriched with nitrogen vacancies, which enhance the catalyst’s ability to harvest visible light. The photocatalytic performance of the brush-like CNS-650 catalyst was evaluated for rhodamine B (RhB) degradation. Under red-light irradiation (660 nm), its degradation rate was 7.4 times higher than that of bulk CN. This work provides valuable insights into the design and application of efficient metal-free 3D photocatalysts.

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Metal-Free Brush-Like 3D Carbon Nitride Delivers Efficient Red-Light-Driven Photocatalysis

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Original ResearchVol. 54, Issue 3 • pp. 100-112DOI: 10.1016/S1872-5813(25)60613-X• Jan 15, 2026

Influence of Preparation Method on the Denitration Performance of Co-Modified Ce/TiO2 Catalysts

Authors: YU Chao, ZHANG Boya, SHEN Kai, HAN Yuxuan, ZHANG Yaping

This study systematically optimized the preparation of Co-modified Ce/TiO2 catalysts and investigated the effects of preparation method and Co loading on their low-temperature denitrification activity. The sol-gel method with a Co/Ti mass ratio of 0.025 (Ce-Co0.025/TiO2-SG) yielded superior performance compared to impregnation and co-precipitation methods. The catalyst maintained NO conversion above 95% in the 225–350 °C range and exhibited high N2 selectivity. Characterization via BET, XRD, XPS, H2-TPR, and in situ DRIFTS revealed that the enhanced activity was attributed to abundant surface oxygen vacancies, a high proportion of Ce3+ species, and prominent acidic sites. The catalyst followed the Eley-Rideal mechanism, effectively inhibiting nitrate intermediate formation and promoting NO-to-NO2 oxidation. This work provides a reference for developing efficient low-temperature denitrification catalysts for industrial applications such as cement production, which emitted 722,000 tons of NOx in 2020, accounting for 17.3% of industrial emissions.

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Influence of Preparation Method on the Denitration Performance of Co-Modified Ce/TiO2 Catalysts

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Original ResearchVol. 54, Issue 3 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0027• Jan 15, 2026

One-Step Electrodeposition of Cu-Sn Alloy Catalysts for Efficient Electroreduction of CO2 to Formate

Authors: MIAO Jiahe, YANG Song, HU Hao, BAI Yadong, YANG Yanyan, YU Zhongliang

Electrocatalytic CO2 reduction reaction (CO2RR) offers a promising route to mitigate CO2 emissions while producing valuable chemicals. This study reports a Cu-Sn alloy catalyst with a wheat-ear-like dendritic structure, fabricated via a one-step electrodeposition method, for selective CO2 electroreduction to formate. Compared to pure Cu and Sn electrodes, the Cu-Sn alloy exhibits superior catalytic activity and selectivity toward formate, achieving a maximum Faradaic efficiency (FE) of 80% and maintaining above 70% FE over a potential window from -1.7 V to -2.0 V (vs. Ag/AgCl). The enhanced performance is attributed to the unique dendritic morphology that provides abundant active sites and the synergistic alloying effect that modulates the adsorption of the CO2*- intermediate, as corroborated by electrochemical measurements and X-ray photoelectron spectroscopy (XPS). This work presents a facile strategy for designing bimetallic catalysts for efficient CO2RR to formate.

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One-Step Electrodeposition of Cu-Sn Alloy Catalysts for Efficient Electroreduction of CO2 to Formate

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Original ResearchVol. 54, Issue 3 • pp. 100-112DOI: 10.1016/S1872-5813(26)60646-9• Jan 15, 2026

Molecular Dataset of Paraffin Oxidative Pyrolysis: ReaxFF Molecular Dynamics Simulations and Reaction Network Analysis

Authors: YANG Lin, YANG Yanfang, LU Kuan

This dataset provides high-precision molecular dynamics trajectories for oxidative pyrolysis of three paraffin models with distinct straight-chain hydrocarbon distributions, simulated over a temperature range of 2100–2500 K. The COMPASS force field was used for initial structure optimization, and the ReaxFF reactive force field for pyrolysis simulation. The database comprises atomic trajectories, species evolution information, and reaction network analysis results for both heating and isothermal cracking processes, totaling approximately 141 GB and including 150,000 atomic configuration frames. Data are stored in a hierarchical directory structure, supporting multi-scale mechanistic studies. The dataset enables quantitative analysis of carbon chain length effects on reaction pathways, high-resolution tracking of free radical evolution, and extraction of kinetic parameters across a wide temperature range. It provides an atomic-scale foundation for understanding paraffin oxidative pyrolysis, with implications for addressing wax deposition in oil and gas extraction, enhancing product selectivity in cracking processes, and advancing clean fuel technologies. The data are publicly available via DOI:10.57760/sciencedb.31639.

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Molecular Dataset of Paraffin Oxidative Pyrolysis: ReaxFF Molecular Dynamics Simulations and Reaction Network Analysis

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Original ResearchVol. 54, Issue 3 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0028• Jan 15, 2026

Catalytic Reforming of Lignite Pyrolysis Volatiles over Metal Oxide and Zeolite Tandem Catalysts for Light Aromatics Production

Authors: XU Min, YAO Naiyu, CAI Shijie, LU You, ZHAO Xiaoyan, CAO Jingpei

Pyrolysis is a key route for the graded conversion of low-rank coal, yet the volatiles are rich in oxygenates and heavy components, limiting direct utilization. This study proposes a tandem catalytic system combining metal oxides and ZSM-5 zeolite to efficiently convert lignite pyrolysis volatiles into light aromatics (benzene, toluene, ethylbenzene, xylene, naphthalene, methylnaphthalene). The upper-layer metal oxide pre-cracks large molecules and removes oxygenates, reducing carbon deposition on the zeolite and extending catalyst life. Among metal oxides tested, strongly basic MgO exhibited superior cracking and deoxygenation performance. Compared to ZSM-5 alone, the MgO/ZSM-5 tandem system increased total light aromatics yield by approximately 20% to 21.5 mg/g, while maintaining liquid product proportion at 21.4%. The incorporation of MgO also significantly reduced coke deposition on ZSM-5, preserving its catalytic activity and potentially prolonging its operational lifespan. These findings provide a theoretical basis for upgrading low-rank coal pyrolysis volatiles to valuable light aromatics.

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Catalytic Reforming of Lignite Pyrolysis Volatiles over Metal Oxide and Zeolite Tandem Catalysts for Light Aromatics Production

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.1016/S1872-5813(26)60647-0• Jan 15, 2026

Interface Regulation for Enhanced Photoelectrochemical Performance of CuBi2O4 Photocathodes

Authors: JIANG Shanshan, LIU Dabo, XIAO Mengyuan, FAN Xiaoxing

Photoelectrochemical (PEC) water splitting offers a direct route to convert solar energy into clean hydrogen fuel. CuBi2O4, a p-type semiconductor with a bandgap of 1.5–1.8 eV, exhibits visible-light responsiveness and good stability, yet its performance is limited by high interfacial resistance and severe charge carrier recombination. This study introduces a CuO interlayer between fluorine-doped tin oxide (FTO) and CuBi2O4 to construct CuO/CuBi2O4 photocathodes, aiming to improve interfacial charge transfer. The optimized CuO/CuBi2O4-200 photocathode achieved a photocurrent density of −1.71 mA/cm² at 0 V vs. RHE, more than 3.5 times that of bare CuBi2O4. Incident photon-to-current efficiency (IPCE) at 365 nm reached ~13%, and the maximum applied bias photon-to-current efficiency (ABPE) was 0.17%. Water splitting experiments yielded 2.05 μmol/cm² of hydrogen, significantly surpassing the unmodified photoelectrode. Mechanistic studies indicate that the CuO layer establishes favorable band alignment, promotes hole transport toward the FTO substrate, and suppresses interfacial carrier recombination. This work demonstrates a simple and efficient interfacial engineering strategy, offering insights for the design of high-performance semiconductor-based PEC photoelectrodes.

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Interface Regulation for Enhanced Photoelectrochemical Performance of CuBi2O4 Photocathodes

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.1016/S1872-5813(26)60644-5• Jan 15, 2026

Fe-modified MoS2/NC catalyst for hydrodeoxygenation of lignin into aviation fuel-range arenes

Authors: CHEN Lu, DENG Yacong, WU Zifan, QIU Yuting, YANG Xin, SUI Guoyong, LIU Bin, YU Yingmin, CHAI Yongming

Lignin, as the sole renewable source of aromatic compounds, holds significant potential for producing green aviation fuel-range arenes via hydrodeoxygenation (HDO). In this study, a series of nitrogen-doped carbon-supported FeMoS/NC bimetallic catalysts were synthesized via a hydrothermal method. The HDO performance was evaluated using 4-ethylguaiacol as a model compound at 340 °C under 3 MPa H2. The unmodified MoS2/NC catalyst achieved a deoxygenation degree of 83.4%, whereas the Fe-modified catalyst with an optimal Fe/Mo molar ratio of 0.3 (Fe0.3MoS/NC) attained complete deoxygenation (100%) with an arenes selectivity of 78.6%. Beyond this optimal ratio, the deoxygenation degree inversely correlated with the Fe/Mo molar ratio. Characterization via XRD, TEM, BET, and XPS revealed that Fe incorporation enhanced the uniform dispersion of MoS2 on the NC support, increased surface acidity, and raised the concentration of sulfur vacancies, thereby promoting adsorption of oxygen-containing compounds. The HDO pathway over Fe0.3MoS/NC primarily proceeded via direct deoxygenation. When applied to real lignin under identical conditions (340 °C, 3 MPa H2, 12 h), the catalyst yielded 65.5% green hydrocarbons, with the C8–C16 fraction accounting for 54.4% of total hydrocarbons and an aromatic selectivity of 63.4% within this fraction. These results demonstrate that Fe0.3MoS/NC is a viable catalyst for selective conversion of lignin into green arenes suitable for sustainable aviation fuel applications.

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Fe-modified MoS2/NC catalyst for hydrodeoxygenation of lignin into aviation fuel-range arenes

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.1016/S1872-5813(25)60630-X• Jan 15, 2026

Chemical-Looping Methane Hydrogen Production Performance of Cu, La, Ce Modified Fe2O3/Al2O3 Oxygen Carriers

Authors: YANG Liangnuo, LI Yilong, ZHOU Zheng, DENG Chunhuan, MA Hao, DING Zisheng, LI Guoliang, LI Ming, GU Zhenhua

Chemical looping methane steam reforming (CL-MSR) enables sequential production of high-selectivity syngas and high-purity hydrogen via redox cycling, yet single iron-based oxygen carriers suffer from poor cycling stability, low reactivity, and sintering. This study modified Fe2O3/Al2O3 oxygen carriers with Cu, La, and Ce additives via dip-coating, and systematically characterized their physicochemical properties, reactivity, and hydrogen production performance. Results showed that spinel-phase CuFe2O4 exhibited higher reactivity than perovskite LaFeO3 and CeO2, promoting deeper reduction of Fe2O3. Fe58Cu2Al achieved an oxygen storage capacity of 6.5 mmol/g. During CH4 reaction, Fe58Cu2Al exhibited the highest oxygen loss of 12.1 g/100 g oxygen carrier, with syngas yield of 5.15 mmol/g—1.33 and 1.59 times that of Fe60Al. In hydrogen production, the 2% Cu-modified carrier yielded 5.13 mmol/g H2, 1.51 times that of pristine Fe60Al, with purity exceeding 98%. After ten cycles, H2 yield remained at 3.61 mmol/g, surpassing the single-cycle output of pristine Fe60Al (3.39 mmol/g), demonstrating superior dispersion and coking resistance. The study establishes Cu modification as an effective strategy to enhance reactivity and cyclic stability of iron-based oxygen carriers for CL-MSR hydrogen production.

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Chemical-Looping Methane Hydrogen Production Performance of Cu, La, Ce Modified Fe2O3/Al2O3 Oxygen Carriers

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.1016/S1872-5813(25)60627-X• Jan 15, 2026

Ring Formation Mechanism of C4H3 Radical and Acetylene in Soot Precursor Formation

Authors: YANG Hongbin, ZHANG Chunchang, XIA Wenwen, YAO Li

This study systematically investigates the cyclization reaction mechanisms between n-C4H3 (1-buten-3-yn-1-yl) and i-C4H3 (2-buten-3-yn-1-yl) radicals with acetylene (C2H2) using density functional theory (DFT) and transition state theory (TST). The results reveal that the reaction of n-C4H3 with acetylene proceeds via a radical chain mechanism through an addition-cyclization pathway, yielding phenyl (six-membered ring), fulvenyl (five-membered ring), and four-membered ring intermediates. The product formation rates follow the order: fulvenyl (five-membered ring) > phenyl (six-membered ring) > four-membered ring. For i-C4H3, the intermediate structures depend on the carbon position of i-C4H3 where acetylene addition occurs: addition at the C2 position predominantly generates fulvenyl (five-membered ring) as the primary product, whereas addition at the C4 position may lead to phenyl (six-membered ring), fulvenyl (five-membered ring), or four-membered ring intermediates, with the four-membered ring forming most rapidly and the six-membered ring the slowest. Theoretical analyses demonstrate that the selectivity of reaction pathways is primarily governed by structural differences between the isomers. This work provides atomic-scale insights into the cyclization processes between acetylene and C4H3 species, establishing a foundation for refining models of soot precursor formation.

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Ring Formation Mechanism of C4H3 Radical and Acetylene in Soot Precursor Formation

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.1016/S1872-5813(25)60612-8• Jan 15, 2026

Efficient Leaching and Separation of Iron, Aluminum, and Calcium from Carbon-Rich Components in Coal Gasification Fine Slag Using Organic Acids

Authors: NAN Tianhao, ZHOU Anning, HAN Rui, HAN Chunmeng, CHEN Heng, ZHANG Ningning, LI Bingying

Coal gasification fine slag (CGFS) is a solid waste generated in large quantities during coal gasification, containing residual carbon and inorganic ash rich in SiO2, Al2O3, CaO, Fe2O3, and MgO. The carbon-rich components (CGFS-H) of CGFS, typically comprising 20–50% residual carbon, present both environmental challenges and opportunities for resource recovery. This study systematically investigates the selective leaching behavior of Fe3+, Al3+, and Ca2+ from CGFS-H using three organic acid extractants: citric acid, tartaric acid, and tetrasodium iminodisuccinate (IDS-4Na). The results demonstrate distinct selectivity: IDS-4Na exhibits the highest leaching yield and selectivity for Fe3+, achieving a single leaching yield of 41.2% while suppressing Ca2+ and Al3+ leaching to below 4%, with a selectivity ratio of Fe3+ to Al3+ and Ca2+ of 10.73. Tartaric acid effectively leaches both Fe3+ and Al3+, with single yields of 38.7% and 33.5%, respectively, while Ca2+ leaching remains below 5%, yielding a selectivity of Fe3+ and Al3+ relative to Ca2+ of 14.73. Citric acid preferentially leaches Ca2+, achieving a single yield of 71.5%, but also leaches Fe3+ and Al3+ at 35.2% and 39.1%, respectively, resulting in a low selectivity ratio of Ca2+ to Fe3+ and Al3+ of 0.96. Based on these selective affinities, a green stepwise separation method was developed using sequential leaching with IDS-4Na, tartaric acid, and citric acid. Under optimal conditions, cumulative leaching yields of 79.8% for Fe3+, 65.08% for Al3+, and 78.6% for Ca2+ were achieved. XRD, XRF, and SEM analyses elucidate the complexation mechanisms, indicating that the synergistic effects of selective coordination between structurally diverse organic acids and metal ions drive the process. This advancement provides a critical foundation for developing Ca/Fe/Al hydrotalcite materials using CGFS-H as a sustainable feedstock, promoting resource-efficient utilization of coal gasification fine slag.

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Efficient Leaching and Separation of Iron, Aluminum, and Calcium from Carbon-Rich Components in Coal Gasification Fine Slag Using Organic Acids

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.1016/S1872-5813(25)60625-6• Jan 15, 2026

Design of Catalysts for Electrochemical Nitric Oxide Reduction to Ammonia Based on Stacked Ensemble Learning

Authors: DUAN Wenhao, ZHAO Yan, WANG Huanran, ZHU Yaming, LI Xianchun

The electrocatalytic reduction of nitric oxide to ammonia (NORR) is a key green energy conversion technology. Its efficiency relies on high-performance electrocatalysts to enhance both ammonia yield (YNH3) and Faradaic efficiency (FNH3). Conventional experimental screening methods are resource- and time-intensive. Here, machine learning combined with SHAP feature analysis was employed to establish a stacked ensemble model integrating multiple algorithms, enabling systematic investigation of key descriptors governing NORR performance based on an experimental dataset. Evaluation of eight model algorithms revealed that the Stacked-SVR model achieved an R² of 0.9223 and RMSE of 0.0608 for predicting YNH3 on the test set, while the Stacked-RF model achieved an R² of 0.9042 and RMSE of 0.0900 for predicting FNH3. The stacked ensemble model integrates strengths of individual algorithms, demonstrating strong prediction performance while avoiding overfitting. SHAP analysis revealed that Cu content in catalyst composition has the most significant impact on catalytic performance. Moreover, the combination of wet chemical reduction synthesis, carbon fiber (CF) conductive substrate, and HCl electrolyte is more favorable for enhancing catalytic activity. Additionally, moderately lowering working potential, controlling electrolyte volume at low-to-medium levels, reducing catalyst loading, and increasing electrolyte concentration synergistically enhance both YNH3 and FNH3.

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Design of Catalysts for Electrochemical Nitric Oxide Reduction to Ammonia Based on Stacked Ensemble Learning

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.1016/S1872-5813(25)60631-1• Jan 15, 2026

Influence of the Distance between Brønsted Acid Sites and Mo Sites in Mo/HZSM-5 on the Mechanism of Methane Dehydroaromatization Performance

Authors: WANG Ce, WEI Lihong, ZHANG Qinghao, ZHANG Hongxiang, SUN Yuewen

Methane dehydroaromatization (MDA) offers a carbon-neutral route to benzene, toluene, and xylene (BTX), yet the regulatory mechanisms of Brønsted acid site (BAS) strength and spatial proximity to Mo sites remain unresolved. This study systematically tunes BAS strength via isomorphous substitution (Al, Ga, Fe, B) and Mo-BAS proximity in ZSM-5, integrating catalytic evaluations with density functional theory (DFT). Strongly acidic Al-zeolites achieve the highest methane conversion, while weakly acidic B-substituted systems exhibit optimal mono-/bifunctional synergy, outperforming moderate-acid counterparts. DFT reveals that deprotonation energy (DPE) correlates with acid strength; Al-ZSM-5 (DPE = -5.68 eV) lowers the C–H activation barrier (ΔG = 1.467 eV). Spatial proximity analysis shows that nanoscale Mo-BAS distances, achieved via ball milling, enhance methane conversion by 33% and BTX yield by 31% compared to micrometer-scale mixtures, by accelerating intermediate transport and suppressing coke. These findings establish a multi-scale framework linking acid strength, spatial confinement, and electronic modulation, providing actionable guidelines for designing next-generation MDA catalysts.

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Influence of the Distance between Brønsted Acid Sites and Mo Sites in Mo/HZSM-5 on the Mechanism of Methane Dehydroaromatization Performance

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.1016/S1872-5813(25)60616-5• Jan 15, 2026

The Role of Copper Valence States in CuZnAl Catalysts for CO2-to-Methanol Conversion

Authors: QIU Zhengpu, XU Yunzhao, WANG Peng, TAO Xiaoxia, ZHANG Huimin, CHEN Yang, LIU Yi, YANG Hua, CAO Fenghai, FU Yajie, WU Lizhi, TANG Yu, XU Xiaoying, TAN Li

CuZnAl (CZA) is a classic industrial catalyst for methanol synthesis from syngas, but its catalytic performance for CO2 hydrogenation to methanol is suboptimal. The catalytic mechanism of Cu species in CZA remains challenging. This study systematically investigates the valence state changes of active Cu species in CZA catalysts and their influence on catalytic performance by modifying catalysts with varying amounts of electron donor K, thereby identifying the catalytic function of Cu species with different valence states. H2-TPR, XPS, and HR-TEM characterizations reveal that highly dispersed K species supported on CZA catalysts inhibit the reduction of CuO, resulting in a small amount of Cu2O active species being produced under reaction conditions, thus causing a decrease in catalytic activity. Furthermore, XRD and Cu LMM spectra show that the proportion of Cu0 in K-modified CZA catalysts increases with K loading, but a higher proportion of Cu0 species on the surface obviously promotes the reverse water gas shift (RWGS) reaction. According to the results of in situ infrared spectroscopy, CZA catalyst follows the reaction pathway mediated by HCOO* in the hydrogenation of CO2 to methanol.

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The Role of Copper Valence States in CuZnAl Catalysts for CO2-to-Methanol Conversion

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.1016/S1872-5813(26)60640-8• Jan 15, 2026

Oxidation Mechanism of Ethylene over MgO-Supported Ag-Cu Bimetallic Synergistic Catalysts: A DFT Study

Authors: ZHANG Wei, ZHAO Genrui, LI Zehong, CHEN Guisheng, CHEN Zhaohui

Ethylene (C2H4) in vehicle exhaust is a highly reactive volatile organic compound (VOC) whose photo-oxidation with NOx contributes to the formation of O3 and secondary organic aerosols (SOA), a key precursor of PM2.5. This study designs a novel MgO-supported Ag-Cu bimetallic catalyst and investigates its performance using density functional theory (DFT). The effects of Ag and Cu loading on geometric structure, stability, and reactant adsorption are analyzed, and the catalytic oxidation pathways of C2H4 over AgCu-MgO are elucidated. Results indicate that loading Ag significantly enhances C2H4 adsorption, with a maximum adsorption energy of -1.46 eV, while O2 adsorption remains weak (-0.45 eV). Cu-MgO shows moderate C2H4 adsorption (-0.87 eV at bridge site) but higher O2 adsorption (-0.76 eV). Among 17 AgCu-MgO dual-atom catalyst (DAC) configurations, those with Ag and Cu co-adsorbed at Mg sites are thermodynamically more stable (binding energies below -10 eV). Configurations with Ag and Cu in close proximity enhance co-adsorption of C2H4 and O2. C2H4 oxidation preferentially proceeds via C=C bond cleavage to form *CH3 and CO2. For three representative configurations (1, 3, 6), free energy barriers for rate-limiting steps in the *HCO and CH2O pathway are consistently higher than those for *CH3 and CO2 pathway. Configuration 6 exhibits the lowest energy barrier (0.32 eV) for its rate-limiting step, indicating the highest catalytic performance. This study provides atomic-scale insights for rational design of efficient catalysts targeting olefinic pollutants in automotive emissions.

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Oxidation Mechanism of Ethylene over MgO-Supported Ag-Cu Bimetallic Synergistic Catalysts: A DFT Study

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.1016/S1872-5813(25)60629-3• Jan 15, 2026

Enhancing photocatalytic CO2 reduction with Z-scheme heterojunction Ag/Bi2MoO6/BiOBr composite films: Synthesis and mechanistic insights

Authors: LI Jiao, ZHAO Jing, WANG Yiming, ZHAO Wenhai, CHAI Yizhuo, ZHANG Xiaochao

This study reports the synthesis of a novel Z-scheme heterojunction composite film comprising Ag/Bi2MoO6/BiOBr via electrochemical processes, ion-exchange techniques, and subsequent photodeposition of silver nanoparticles. The incorporation of Ag nanoparticles exploits localized surface plasmon resonance (LSPR) effects and serves as an electron mediator, establishing a Schottky barrier that suppresses charge recombination. The optimized 1.5% Ag/Bi2MoO6/BiOBr film achieves a CO production rate of 13.65 μmol/(g·h) from photocatalytic CO2 reduction, significantly outperforming the unmodified Bi2MoO6/BiOBr film. Photocurrent and impedance analyses confirm enhanced charge separation in the Ag-modified composite. A non-linear relationship between Ag loading and photocatalytic efficiency was observed, with optimal performance at 1.5% Ag. The proposed Z-scheme mechanism elucidates the synergistic interactions among components, providing a scientific basis for rational design of advanced photocatalysts and immobilized systems for CO2 reduction. This work offers insights into the development of efficient, sustainable photocatalytic technologies for carbon capture and utilization.

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Enhancing photocatalytic CO2 reduction with Z-scheme heterojunction Ag/Bi2MoO6/BiOBr composite films: Synthesis and mechanistic insights

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.1016/S1872-5813(25)60620-7• Jan 15, 2026

Intelligent Analysis of Direct Coal Liquefaction Diesel Components by Near-Infrared Spectroscopy

Authors: WANG Xiwu, LI Haowei, QI Zhendong, WANG Xingbao, FENG Jie, ZHU Yimeng, LI Wenying

Direct coal liquefaction (DCL) diesel constitutes over 60% of DCL products, yet its cetane number (30–40) falls short of the automotive diesel standard (≥45). Rapid and accurate compositional analysis is essential for optimizing properties via component blending. Traditional gas chromatography offers high accuracy but is unsuitable for online industrial monitoring. Near-infrared (NIR) spectroscopy enables rapid, non-destructive analysis, but spectral interpretation is complex. This study integrates NIR spectroscopy with machine learning (ML) to construct a spectral-composition database for DCL diesel. Feature extraction using correlation coefficient and mutual information methods screened key wavelength variables, reducing dimensionality from ~1800 to ~200 wavelengths. Three ML models—Lasso, SVR, and XGBoost—were compared. Excluding spectral data with absorbance >1 significantly improved model accuracy, increasing test set R² from 0.85 to 0.96. After feature extraction, the optimal variable count was 177, enhancing computational efficiency. Among models, SVR-MI-0.9 (mutual information feature selection) achieved the best performance, with training and test set R² values exceeding 0.98, enabling precise prediction of paraffin, naphthene, and aromatic contents. This research provides a robust methodology for intelligent online quality monitoring. An intelligent NIR spectroscopy data analysis software was independently developed based on the established model. Compared with comprehensive two-dimensional gas chromatography, the software reduced analysis time by over 98%, with absolute prediction error below 0.2%. Thus, rapid analysis of DCL diesel components was successfully realized.

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Intelligent Analysis of Direct Coal Liquefaction Diesel Components by Near-Infrared Spectroscopy

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.1016/S1872-5813(25)60619-0• Jan 15, 2026

Low-Temperature NH3-SCR Denitration Mechanism of Biochar-Supported Mn-Cu-Nb Catalyst

Authors: LIU Bingbing, JI Ke, LU Zhibin, ZHANG Fangfang, BI Xuejun

Under the context of global energy transition and carbon neutrality, controlling nitrogen oxide (NOx) emissions from biomass combustion is of great significance, and the development of high-efficiency low-temperature catalysts has become a current research focus. In this study, Nb was used to dope and modify the Mn7-Cu3/BCN catalyst to construct the Mn7-Cu3-Nbx/BCN system. The doping amount was optimized through selective catalytic reduction (SCR) activity tests. The reaction mechanism was explored by combining in situ DRIFTS and density functional theory (DFT) simulations. Experimental findings revealed that the catalyst doped with 0.05% Nb achieved the optimal performance, sustaining a NO conversion efficiency of ≥94% within the temperature window of 150−275 °C while demonstrating improved resistance to alkali metal K poisoning. Mechanistic analyses showed that at low temperatures, the catalyst facilitated the SCR reaction via both the Eley-Rideal (E-R) and Langmuir-Hinshelwood (L-H) pathways, with the synergistic interaction between multiple active sites driving the efficient conversion of NH3 and NO. DFT calculations further confirmed that both pathways had the characteristics of low reaction energy barriers and significant exothermicity, ensuring the high activity and feasibility of the low-temperature reaction. The findings provided foundational theoretical support for the design of Nb-doped Mn-Cu-supported catalysts and the exploration of the underlying working mechanisms.

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Low-Temperature NH3-SCR Denitration Mechanism of Biochar-Supported Mn-Cu-Nb Catalyst

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0029• Jan 15, 2026

Effect of Calcium-Sodium Composite Flux on Ash Fusibility and Mineral Transformation of Pingshuo High Ash Fusion Temperature Coal

Authors: ZHANG Qihui, GAO Longfei, GUO Zhenxing, KONG Lingxue, LI Huaizhu, CAO Yang, WANG Kun, BAI Jin, BAI Zongqing, LI Wen

Pingshuo coal ash, characterized by high silicon-aluminum content (Si+Al >85%) and low Si/Al ratio (<1.5), exhibits ash fusion temperatures (AFTs) exceeding 1550 °C, rendering it unsuitable for entrained-flow gasifiers. This study investigates the effect of calcium-sodium composite flux on ash fusibility and mineral transformation. X-ray diffraction (XRD) and FactSage thermodynamic simulations were employed to analyze mineral evolution, while molecular dynamics (MD) simulations revealed the underlying melting mechanism. Results show that adding 20% composite flux (CaO/Na2O) lowers AFTs more effectively than equivalent additions of CaO or Na2O alone, indicating a synergistic effect. At a CaO/Na2O ratio of 3:7, the flow temperatures (FT) of two Pingshuo coal ashes decreased to 1377 °C and 1279 °C, respectively. The composite flux promotes reactions between quartz and Na2O/CaO, forming low-melting-point minerals such as nepheline, albite, and gehlenite, while inhibiting mullite formation. Additionally, Na+ disrupts the silicate network, inducing Ca2+ to preferentially coordinate with [AlO4]5- tetrahedra, further breaking Si-O-Si bonds. MD simulations show that atomic diffusion, quantified by mean square displacement (MSD), is significantly enhanced below 1600 K with composite flux addition compared to single fluxes. These findings provide a mechanistic basis for optimizing flux formulations to enable efficient gasification of high-AFT coals.

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Effect of Calcium-Sodium Composite Flux on Ash Fusibility and Mineral Transformation of Pingshuo High Ash Fusion Temperature Coal

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0032• Jan 15, 2026

Effect of Coating Asphalt Softening Point on Pre-Oxidation Pathway and Sodium Storage Performance of Derived Hard Carbon

Authors: LÜ Xiaojun, DIAO Jingjing, ZHAO Qingbo, CAI Tianfeng, HAN Dongyun, YANG Zhanxu, CAO Zubin

This study elucidates the nonlinear relationship between the softening point of coating asphalt and its oxidative cross-linking behavior, as well as the sodium storage performance of the derived hard carbon. Comparative analysis of asphalts with low (80 °C), medium (160 °C), and high (260 °C) softening points revealed that both the 80 and 260 °C asphalts incorporated a higher oxygen content (20%–25%) during oxidation, leading to the formation of a deeply cross-linked structure dominated by anhydride and ester groups. This effectively suppressed graphitization during carbonization, yielding hard carbon with large interlayer spacing, high disorder, and abundant closed pores. The derived hard carbon exhibited superior sodium storage performance: the initial charge capacities of EPOC-80 and EPOC-260 reached 314.7 and 306.6 mA·h/g, with first-cycle coulombic efficiencies of 81.3% and 79.3%, respectively, along with excellent cycling stability and rate capability. In contrast, the medium softening point asphalt (160 °C) showed limited oxygen incorporation (~5%) and insufficient cross-linking after oxidation, resulting in a densely packed hard carbon with smaller interlayer spacing (3.46 Å) and restricted sodium storage sites, which led to a significantly reduced capacity of 173.2 mA·h/g. This work provides new design principles and theoretical support for optimizing hard carbon anode structures through precise control of the precursor softening point.

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Effect of Coating Asphalt Softening Point on Pre-Oxidation Pathway and Sodium Storage Performance of Derived Hard Carbon

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.1016/S1872-5813(25)60622-0• Jan 15, 2026

Hydrothermal Carbon with Abundant Oxygen-Containing Functional Groups for Photocatalytic H2O2 Generation in Water and Seawater

Authors: CHANG Yuhong, HAN Xue, ZHANG Yanxia, LI Guofang, HU Tianjun, CHEN Wenwen, PEI Linjuan, JIA Jianfeng

Photocatalytic production of hydrogen peroxide (H2O2) from sustainable biomass-derived carbon catalysts offers a renewable route to valuable chemicals, yet the regulatory role of surface functional groups on reaction kinetics remains underexplored. Here, hydrothermal carbon spheres (CS) rich in oxygen-containing functional groups demonstrated a remarkably high H2O2 production rate of 653 μmol/(g·h) in both pure water and actual seawater, without any sacrificial agent. The catalyst also exhibited outstanding activity in visible-light-driven photocatalytic oxidation of benzylamine to imines, achieving 92% conversion and >99% selectivity. Comprehensive analysis revealed that CS was rich in surface oxygen-containing functional groups, a feature strongly associated with its high photocatalytic efficiency. The observed positive Zeta potential of CS in seawater likely diminished electrostatic repulsion against positively charged intermediates, facilitating their accumulation at the liquid-solid interface. This work proposes a strategic framework for developing metal-free photocatalysts from biomass, offering a sustainable pathway for photocatalytic applications.

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Hydrothermal Carbon with Abundant Oxygen-Containing Functional Groups for Photocatalytic H2O2 Generation in Water and Seawater

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Original ResearchVol. 54, Issue 4 • pp. 100-112DOI: 10.1016/S1872-5813(26)60673-1• Jan 15, 2026

A Standardized Dataset of CO-TPD Spectra on Transition-Metal Single-Crystal Surfaces

Authors: YANG Lin, WU Jianghong, WANG He

Temperature-programmed desorption (TPD) is a fundamental technique in surface science and heterogeneous catalysis for characterizing adsorption behavior and extracting key parameters such as adsorption energy. However, the majority of existing TPD data is accessible only in the form of published images, lacking structured and quantitative datasets, which constrains rigorous quantitative analysis and computational modeling. Using carbon monoxide (CO) as a widely adopted probe molecule, we constructed a curated and standardized dataset of CO-TPD spectra encompassing 14 transition-metal single-crystal surfaces, including copper (Cu) and ruthenium (Ru). By systematically extracting numerical data points from published spectra and applying normalization, essential spectral features such as peak shape are fully preserved. The dataset also documents relevant experimental parameters, including heating rates, and was developed using a standardized protocol for data collection and quality control. This resource serves as both a reference library to support the deconvolution of TPD spectra from complex catalysts and an experimental benchmark for calibrating parameters in theoretical models. By providing a reliable and accessible data function, this work advances the microscopic understanding and rational design of catalyst active centers.

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A Standardized Dataset of CO-TPD Spectra on Transition-Metal Single-Crystal Surfaces

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.1016/S1872-5813(25)60618-9• Jan 15, 2026

Advances in Catalytic Pyrolysis of Lignin toward Aromatic Hydrocarbon Production

Authors: NIE Weidong, SUN Daoxuan, TIAN Shue, CHEN Lei, YANG Shuangxia, LI Tianjin, DONG Zhiguo, XIE Xinping, JIN Fuqiang, YI Xiaolu, ZHAO Yuying, XU Meirong, LI Yong, ZHAO Baofeng, SI Hongyu, HUA Dongliang, SUN Laizhi

Aromatic hydrocarbons, essential chemical feedstocks for fuels, synthetic fibers, and pharmaceuticals, are predominantly derived from petroleum refining. The catalytic conversion of lignin, a major lignocellulosic component, offers a renewable route to these chemicals. This review systematically examines the influence of pyrolysis methods, catalysts, and reaction conditions on the catalytic pyrolysis of lignin to aromatic hydrocarbons. Key parameters include catalyst acidity and pore structure, which govern selectivity and yield. Reaction temperature, catalyst-to-lignin ratio, and residence time critically affect product distribution. The review outlines catalytic mechanisms, such as deoxygenation, cracking, and aromatization, and highlights the role of zeolite catalysts, particularly HZSM-5, in enhancing monocyclic aromatic hydrocarbon yields. Metal modification (e.g., Fe, Ni, Ga) and pretreatment strategies (e.g., torrefaction) are discussed for improving efficiency. Challenges remain in catalyst deactivation due to coking and the complexity of lignin structure. Future research directions include developing robust catalysts, optimizing reactor designs, and integrating processes for industrial viability. This review provides theoretical and technological guidance for advancing lignin-to-aromatics conversion.

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Advances in Catalytic Pyrolysis of Lignin toward Aromatic Hydrocarbon Production

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.1016/S1872-5813(25)60611-6• Jan 15, 2026

Identification of Coal Characteristics by Near-Infrared Spectroscopy: Machine Learning Predictions and Experimental Validations

Authors: AN Haiquan, LIU Zhen, LI Ye, PENG Baozi

Rapid and accurate determination of coal properties is critical for process optimization, quality control, and supply chain management in the coal industry. This study integrates near-infrared (NIR) spectroscopy with machine learning algorithms to develop a fast and reliable framework for predicting coal components. Five algorithms—support vector machine (SVM), random forest (RF), temporal convolutional network (TCN), one-dimensional convolutional neural network (1D CNN), and gated recurrent unit (GRU)—were employed for regression modeling. Among these, the TCN model achieved the lowest mean absolute error (MAE) of 0.505, while the RF model exhibited the lowest root mean square error (RMSE) of 0.618, indicating robust predictive accuracy on the test set. The TCN model also demonstrated superior generalization with the lowest coefficient of variation (CV) of 0.042. Single-output models revealed differential performance: TCN was optimal for ash content prediction, while RF excelled for fixed carbon and low calorific value. Considering model parameters, computation time, and accuracy, RF, 1D CNN, and TCN were identified as the most efficient. SHAP value analysis identified key spectral peaks influencing predictions, with peak 52 (1141.35–1157.65 nm) showing the highest impact across all models. Distinct peaks were associated with specific components: peak 46 (1173.89–1179.23 nm) for ash, peak 18 (1382.19–1388.10 nm) for moisture, and peaks 5 and 28 (1914.79–1920.46 nm and 1267.38–1270.48 nm) for fixed carbon. This research provides a novel method for rapid coal testing and offers insights applicable to component analysis in other fields.

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Identification of Coal Characteristics by Near-Infrared Spectroscopy: Machine Learning Predictions and Experimental Validations

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.1016/S1872-5813(26)60641-X• Jan 15, 2026

Alcoholysis of Waste Polycarbonate Plastic by Methanol into Bisphenol A under Mild Conditions

Authors: NA Heya, GAO Yu, WANG Xiaolu, HAO Jianxiu, ZHOU Huacong, BAN Yanpeng, LI Na, LIU Quansheng

Polycarbonate (PC) is a widely utilized engineering plastic, but its accumulation in waste streams poses environmental and health risks due to the leaching of toxic bisphenol A (BPA). This study presents a catalyst-free methanolysis route for the chemical recycling of waste PC into BPA under mild conditions. At 160 °C, complete depolymerization of PC (100.0% conversion) was achieved with a high BPA yield of 95.0% without any catalyst or auxiliary solvent. A scaled-up experiment with 10 g PC demonstrated a facile separation process, recovering BPA with over 85.0% yield. The method proved effective for various commercial PC grades and mixed plastics, including ABS-PC blends, as well as other polyesters such as polylactic acid, polyglycolic acid, and polyethylene terephthalate. Based on SEM and GPC analyses, a probable alcoholysis depolymerization mechanism was proposed, involving initial swelling and gradual breakdown of PC into soluble macromolecules with broad molecular weight distribution, ultimately yielding BPA. This work offers a facile, green, and efficient approach for the alcoholysis recovery of polyester plastics, addressing both environmental concerns and sustainable resource utilization.

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Alcoholysis of Waste Polycarbonate Plastic by Methanol into Bisphenol A under Mild Conditions

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.1016/S1872-5813(26)60636-6• Jan 15, 2026

Direct Oxidation of Methanol to Polyoxymethylene Dimethyl Ethers over Sulfuric Acid-Modified Molybdenum-Doped NASICON Catalysts

Authors: CHENG Yitao, WANG Xiaqing, GAO Xiujuan, SONG Faen, WANG Xiaoxing, WU Yingquan, ZHANG Junfeng, HAN Yizhuo, ZHANG Qingde

Polyoxymethylene dimethyl ethers (DMMx) are promising clean diesel additives. Compared to the traditional aldol condensation route, the one-step oxidative method for producing DMMx directly from methanol is a green synthesis route offering significant advantages. However, due to the complexity of the reaction, a balance must be struck between oxidation depth and C–O chain growth efficiency. This imposes specific requirements on the design of catalysts with multifunctional active sites: the catalyst should possess appropriate oxidative activity, suitable acid strength distribution, and effective synergy between these two functions. To address these challenges, this study designed a sulfuric acid-modified molybdenum-doped NASICON catalyst, which demonstrated favorable catalytic performance in the one-step oxidative synthesis of DMMx from methanol. Over the NSC-Mo-0.5-30% catalyst, methanol conversion rate of 81.3% and the DMMx selectivity of 58.7% were achieved, along with the formation of heavier molecules, as evidenced by the DMM2–6 selectivity of 11.3%. The NH3-TPD, Py-IR and XPS results indicate that the introduction of molybdenum increases the number of weak Lewis acid sites, while sulfuric acid impregnation not only generates gradient-distributed Brønsted acid sites but also promotes the formation of Mo5+/Mo6+ redox pairs. The cooperation of the two types of active sites significantly enhances catalyst performance.

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Direct Oxidation of Methanol to Polyoxymethylene Dimethyl Ethers over Sulfuric Acid-Modified Molybdenum-Doped NASICON Catalysts

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.1016/S1872-5813(26)60637-8• Jan 15, 2026

Investigation of the synergistic mechanism during biomass and coal gangue co-gasification

Authors: NIU Yonghong, SHAO Qing, LI Hao, ZHANG Zaiwei

Biomass is a sustainable green coal alternative, and its thermochemical conversion, particularly hydrogen-rich gasification, offers an effective pathway for high-value utilization. Co-gasification of biomass with coal gangue enables synergistic utilization of carbon resources, with significant potential for emission reduction and efficiency enhancement. To elucidate how typical biomass components govern the gasification process, three feedstocks with distinct dominant characteristics were selected: pine stick (high cellulose), soybean straw (high nitrogen), and corn stover (high ash with abundant K+). Under fixed conditions (850 °C, steam flow 2 mL/min, N2 flow 75 mL/min), co-gasification with coal gangue was investigated. Results indicated that compositional differences led to distinct synergistic patterns and product distributions. All systems achieved the highest hydrogen yield at a 5:5 raw material mass ratio. The high-cellulose pine stick system yielded the most H2 (9.06 mmol/g) and H2+CO yield (15.25 mmol/g), exhibiting a 'three high, three low' advantage due to efficient volatile reforming. In contrast, the high-ash/K+ corn stover system showed the strongest synergy for CO (SI = 1.22), promoted by the catalytic Boudouard reaction. The high-nitrogen soybean straw system achieved an optimal H2/CO ratio (2.00) but suffered from suppressed syngas yield due to inhibitory nitrogenous tars. This study confirms that biomass composition—specifically cellulose, ash/K+, and nitrogen content—differentially regulates syngas production and synergy by steering dominant reaction pathways, providing a theoretical basis for targeted conversion of waste resources.

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Investigation of the synergistic mechanism during biomass and coal gangue co-gasification

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.1016/S1872-5813(25)60623-2• Jan 15, 2026

Robust Microwave Catalytic Oxidative Coupling of Methane over Mn2O3-TiO2-Na2WO4/SiO2+SiC

Authors: SUN Ruize, LI Ran, ZHOU Jicheng, XU Wentao

Oxidative coupling of methane (OCM) is a promising route for direct conversion of methane to C2–C3 hydrocarbons, but conventional thermal catalysis suffers from insufficient conversion and selectivity. Here, we report a novel Mn2O3-TiO2-Na2WO4/SiO2+SiC microwave catalyst prepared by ball-milling, which enables efficient OCM under microwave irradiation. At 700 °C, the microwave catalytic reaction mode (MCRM) achieves a CH4 conversion of 26.6%, a C2–C3 selectivity of 76.5%, and a C2–C3 yield of 20.4%, significantly outperforming the conventional reaction mode (CRM) under identical conditions (12.3%, 61.9%, and 7.5%, respectively). The catalyst exhibits stable performance for 20 h in MCRM, maintaining CH4 conversion above 25% and C2–C3 selectivity above 76%. Characterization (XRD, XPS, O2-TPD, Raman) reveals that calcination promotes Mn–Ti interaction, increasing peroxy species and lattice oxygen (Oγ), which enhance reactivity and selectivity. Notably, microwave irradiation reduces the apparent activation energy from 173 kJ/mol (CRM) to 27.5 kJ/mol, facilitating free radical coupling and suppressing deep oxidation. These findings provide a low-temperature, energy-efficient strategy for methane valorization, contributing to sustainable chemical manufacturing.

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Robust Microwave Catalytic Oxidative Coupling of Methane over Mn2O3-TiO2-Na2WO4/SiO2+SiC

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.3724/2097-213X.2026.JFCT.0001• Jan 15, 2026

Research progress on solid acid catalysts for enhanced CO2 desorption from alkanolamine solutions in the past five years

Authors: TAN Zhan, ZHANG Xiaowen, HE Huiling, ZHANG Zhiyang, LIU Yuxiang, MAO Jiayu, YOU Kuiyi, LUO Hean

The escalating global demand for carbon reduction has positioned chemical absorption using alkanolamine solvents as the predominant post-combustion CO2 capture technology, owing to its high absorption efficiency and process maturity. However, the regeneration of CO2-rich solvents is energy-intensive, with the desorption step accounting for 40.0%–60.0% of total energy consumption. Traditional amine-based methods suffer from high energy penalties, solvent degradation, and equipment corrosion, limiting scalability. Catalytic CO2 desorption, employing solid acid catalysts (SACs), has emerged to address these challenges by lowering the activation energy for CO2 release, enhancing reaction kinetics, and enabling efficient regeneration at lower temperatures (110–130 °C reduced). This review systematically examines research from the past five years on key catalyst materials, focusing on structure-activity relationships, synergistic mechanisms of Lewis acid, Brønsted acid, and basic sites, and their influence on desorption pathways. It highlights that SACs not only improve desorption dynamics but also facilitate catalyst recovery, avoiding adverse effects on absorption. The paper analyzes current scientific and technological challenges, including catalyst stability, selectivity, and scale-up, and provides an outlook on industrial application in low-cost carbon capture. Key findings indicate that catalysts such as metal-organic frameworks (MOFs), heteropolyacids, and waste-derived materials can reduce regeneration energy by up to 30%–40% while maintaining high desorption efficiency. The review underscores the potential of catalytic regeneration to significantly lower operational costs and enhance the viability of amine-based CO2 capture in industrial settings.

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Research progress on solid acid catalysts for enhanced CO2 desorption from alkanolamine solutions in the past five years

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.1016/S1872-5813(26)60652-4• Jan 15, 2026

Fluorescence Nanoscopy Unveils the Black Box of Industrial Zeolite Catalysts: Mechanisms and Optimization of Mass Transfer-Acidity-Coke Formation

Authors: GUAN Huimin, TANG Qin, ZHANG Junyi, ZHANG Meihua, HUANG Yixing, WANG Huan, DUAN Hongchang, QIN Yucai, SONG Lijuan

The performance of industrial zeolite catalysts, exemplified by fluid catalytic cracking (FCC) catalysts, is governed by microscopic behaviors including mass transfer, acidity, and coking. Conventional characterization techniques such as XRD, N2 physisorption, and TPD provide bulk-averaged or static ex situ information, failing to resolve dynamic processes under realistic reaction conditions. Recent advances in super-resolution fluorescence imaging enable nanoscale visualization of these key processes. This review systematically summarizes three critical applications: (1) Mass transfer diffusion: heterogeneous diffusion of reactant molecules within hierarchical pore networks is revealed, quantifying diffusion barriers and tortuosity. (2) Acid site accessibility: nanoscale localization of acid sites and their accessibility is achieved, correlating with catalytic activity. (3) Coking behavior: spatiotemporal evolution of coke species is identified, linking coke precursors to deactivation. The review elaborates how super-resolution imaging deepens understanding of fundamental catalytic mechanisms, providing theoretical support for rational design of high-performance catalysts through pore structure optimization, acid site regulation, and coking suppression. Current challenges and future directions are discussed, emphasizing the need for in situ correlation with catalytic performance.

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Fluorescence Nanoscopy Unveils the Black Box of Industrial Zeolite Catalysts: Mechanisms and Optimization of Mass Transfer-Acidity-Coke Formation

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0031• Jan 15, 2026

High-Temperature Ash Behavior of Biomass: A Comparative Study of Corn and Wheat Straw

Authors: WU Jiawei, LIANG Yonghuang, HUANG Kejie, PEI Xinping, HAN Xin, LI Jinfan, ZHANG Yong, MA Zhichao, CHEN Hao, LIU Ke, LI Junguo

The high-temperature behavior of biomass ash critically influences gasifier operational efficiency. This study investigates the differential high-temperature behaviors of corn straw ash (CSA) and wheat straw ash (WSA) using an intelligent ash fusion analyzer, high-temperature rotating viscometer, X-ray diffraction (XRD), SEM-EDS, and FactSage thermodynamic simulations. Both ashes contain high K2O (>30%) and exhibit flow temperatures below 1300 °C. Despite higher K2O and lower SiO2, CSA exhibits a higher flow temperature (1241 °C) than WSA, attributed to elevated CaO (10.39%) and MgO (7.33%) that promote formation of high-melting silicates (K2MgSiO4, K2Ca2Si2O7, CaSiO3). In contrast, WSA with lower CaO (4.92%) and MgO (2.82%) tends to form low-melting potassium silicates. At high temperatures, both slags are typical crystalline slags, with viscosity rising sharply below a critical temperature. For CSA, rapid nucleation and coarsening of silicate crystals (e.g., KAlSiO4 grain size increases from 20.5 nm at 1350 °C to 192.9 nm at 1050 °C) cause abrupt viscosity increase. For WSA, a high P2O5 content (10.05%) induces a 'chemical dilution effect', leading to persistent KAlSiO4 during cooling and elevated viscosity, especially at the final cooling stage. This study elucidates how ash chemical composition governs high-temperature phase equilibrium and non-equilibrium kinetics, thereby macroscopically affecting ash fusion and rheological behavior, providing a theoretical basis for deeper understanding of biomass ash high-temperature characteristics.

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High-Temperature Ash Behavior of Biomass: A Comparative Study of Corn and Wheat Straw

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.1016/S1872-5813(26)60649-4• Jan 15, 2026

Hydrodeoxygenation of Lignin-Derived Phenolic Compounds Catalyzed by NiCo Bimetallic Catalyst Supported on N-Doped Biochar and Al2O3

Authors: LIANG Guangming, CHEN Yu, LIN Zhengtao, LÜ Wei, LONG Weijie, TIAN Zhipeng, WANG Chao, CHEN Ying, SHU Riyang

To achieve efficient conversion of lignin-derived phenolic compounds into high-value hydrocarbon fuels, a series of NiCo bimetallic catalysts with N-doped biochar and Al2O3 composite supports (NiCo/NC-Al2O3) were designed and synthesized. Comprehensive characterizations (XRD, TEM, XPS, H2-TPD) revealed the superior catalytic activity in the hydrodeoxygenation (HDO) of lignin-derived phenolic compounds. The optimized Ni8Co2/NC-Al2O3 catalyst exhibited good metal dispersion and excellent hydrogen dissociation adsorption capacity. Under mild reaction conditions (240°C, 1 MPa H2, 4 h), it achieved complete conversion of guaiacol and 99.9% selectivity to cyclohexane, significantly outperforming monometallic Ni10/NC-Al2O3 and Co10/NC-Al2O3 catalysts. Comparative studies indicated a synergistic effect between Ni and Co, where the introduction of Co effectively promoted aromatic ring hydrogenation and C−O bond cleavage. The catalyst maintained high activity after four reuse cycles, demonstrating outstanding structural stability. This study elucidates the regulatory mechanism of the Ni-Co synergistic effect on catalytic performance, providing new insights for the development of efficient non-noble metal HDO catalysts.

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Hydrodeoxygenation of Lignin-Derived Phenolic Compounds Catalyzed by NiCo Bimetallic Catalyst Supported on N-Doped Biochar and Al2O3

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.1016/S1872-5813(26)60635-4• Jan 15, 2026

Selective Oxidation of Aromatic Alcohols to Aldehydes Catalyzed by HKUST-1-Derived Cu-Based Carbon Material and TEMPO

Authors: LUO Yang, ZHANG Shujing, MA Hong, WANG Chenguang

A Cu-based carbon catalyst (H-Cu/C) with octahedral morphology was synthesized by pyrolyzing the metal-organic framework (MOF) precursor HKUST-1 under inert N2 atmosphere. Characterization via XPS, XRD, SEM, and HRTEM revealed that Cu(0) nanoparticles were uniformly dispersed in a carbon matrix, with island-like Cu2O structures serving as active sites. The carbon matrix effectively stabilized the metal nanoparticles, suppressing migration and sintering during reaction. Combined with TEMPO and using molecular oxygen as a green oxidant, the H-Cu/C catalyst exhibited high efficiency in the selective oxidation of aromatic alcohols to corresponding aldehydes under alkali-free conditions. Using benzyl alcohol as a model substrate, an alcohol conversion of 99.2% and a benzaldehyde yield of 94.1% were achieved under mild conditions (100 °C, 0.5 MPa O2, 1 h). The catalytic system demonstrated excellent universality for various mono- and ortho/para-disubstituted aromatic alcohols, affording conversions over 99% and aldehyde yields above 95%. The catalyst could be regenerated via H2 reduction and reused without significant loss of activity. This work provides a new strategy for designing green and efficient non-noble metal catalytic systems for oxidation reactions.

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Selective Oxidation of Aromatic Alcohols to Aldehydes Catalyzed by HKUST-1-Derived Cu-Based Carbon Material and TEMPO

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0035• Jan 15, 2026

Structural Evolution of χ-Fe5C2 and θ-Fe3C in the Reverse Water-Gas Shift Reaction

Authors: SUN Zeping, LIANG Ruikang, WEI Zidu, ZHANG Chao, XIANG Hongwei, WU Jianbing, LIU Xingwu

Iron-based catalysts in CO2/H2 atmospheres undergo dynamic carburization and oxidation phase transitions, complicating active-phase identification and stability control. This study prepared high-purity single-phase χ-Fe5C2 (Hägg carbide) and θ-Fe3C (cementite) via gas-solid carburization, with purity confirmed by XRD and Mössbauer spectroscopy. Fixed-bed reactor tests (H2/CO2 = 1, 0.1 MPa, 270–420 °C), pulse experiments (270 °C), and in situ XRD (10% CO2/He, 340 °C) were employed to investigate catalytic performance and structural evolution in the reverse water-gas shift (RWGS) reaction. Results show that χ-Fe5C2 exhibits higher RWGS activity but is more susceptible to oxidation, whereas θ-Fe3C demonstrates superior oxidation resistance but lower activity. Under RWGS conditions with H2, θ-Fe3C partially transforms into χ-Fe5C2; however, in 10% CO2 atmosphere, both carbides directly oxidize to Fe3O4 without inter-carbide transformation. In situ XRD at 340 °C and 0.1 MPa revealed that χ-Fe5C2 fully oxidizes within 11 h, while θ-Fe3C retains residual phase after 18.3 h, confirming its higher oxidation stability. These findings elucidate the atmosphere-dependent evolution mechanisms of χ-Fe5C2 and θ-Fe3C, providing experimental basis for phase-structure regulation and operational stability optimization in iron-based Fischer-Tropsch and RWGS catalysts.

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Structural Evolution of χ-Fe5C2 and θ-Fe3C in the Reverse Water-Gas Shift Reaction

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.1016/S1872-5813(26)60654-8• Jan 15, 2026

Negative-Carbon Electrochemical CO2 Capture Technology Powered by Green Electricity

Authors: WANG Xingran, FAN Huilin, LIN Chao, LI Xiaopeng, LUO Wei

The declining costs of renewable energy are progressively improving the economic viability of employing electrochemical techniques for carbon dioxide capture. Electrochemical carbon capture (ECC) technology utilizes electrical energy to drive electrode reactions, enabling the selective separation of CO2. The vigorous development of ECC powered by renewable energy offers a promising alternative route to conventional carbon capture methods, overcoming limitations associated with thermally driven capture and release cycles. This approach provides a promising alternative route that is more efficient, flexible, scalable, low-energy-consuming and low-polluting for traditional carbon capture technologies. This review begins by introducing established, large-scale carbon capture technologies, such as pre-combustion capture, post-combustion capture, oxy-fuel combustion, adsorption, membrane separation and the calcium looping process. It then transitions to several rapidly developing ECC technologies, including electrochemically mediated amine regeneration (EMAR), pH-swing-mediated systems, and methods involving redox-active molecules. The pH-swing systems are further categorized into bipolar membrane electrodialysis (BMED), proton-coupled electron transfer (PCET), and membrane capacitive deionization (MCDI). For each method, the underlying principles, technological advancements, advantages, as well as current problems and challenges, are systematically elucidated. It is anticipated that with the widespread deployment of green electricity and persistent innovation in electrochemical materials, ECC technology will emerge as a highly efficient and low-carbon strategy, contributing significantly to the global goal of achieving carbon neutrality.

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Negative-Carbon Electrochemical CO2 Capture Technology Powered by Green Electricity

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.1016/S1872-5813(26)60660-3• Jan 15, 2026

Research Progress on Catalyst Design and Reaction Mechanisms for Heterogeneous Oxygen Oxidation of Light Hydrocarbons

Authors: ZENG Zhuang, LI Bin, XIA Changjiu, ZHANG Xiaoxin

Catalytic oxidation is a pivotal technology for the valorization of light hydrocarbons, with oxidative dehydrogenation (ODH) and epoxidation using molecular oxygen attracting significant interest due to high atom economy and environmental friendliness. This review systematically summarizes recent advances in the oxidative dehydrogenation of light alkanes (ethane, propane) and aerobic epoxidation of light olefins (ethylene, propylene). For rational catalyst design, it elaborates on performance regulation strategies for metal oxide catalysts such as MoVNbTeOx mixed oxides, NiO-based, and V-based systems, as well as carbon/boron-based non-metal catalysts in alkane ODH, and silver- and copper-based catalysts in alkene epoxidation. Strategies include regulating the oxidation state of active sites, exploiting strong metal-support interactions, engineering particle size and crystal facets, and promoter modification. At the mechanistic level, combining density functional theory calculations with in situ characterization, the review examines C–H bond activation and alkene desorption pathways in ODH, and oxygen insertion routes and competing side reactions in epoxidation. Special attention is given to the dynamic evolution of electrophilic and nucleophilic oxygen species and their decisive role in selectivity. Persistent challenges include suppressing over-oxidation and overcoming the conversion–selectivity trade-off. Future directions propose precise design of active centers, development of inherently safer processes, and in-depth analysis of complex reaction networks, supporting the green transition of the chemical industry.

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Research Progress on Catalyst Design and Reaction Mechanisms for Heterogeneous Oxygen Oxidation of Light Hydrocarbons

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0036• Jan 15, 2026

Research Progress on Bifunctional Catalysts for Hydrogenation of COx to Liquefied Petroleum Gas

Authors: FAN Yingnuo, WANG Sen, DONG Mei, FAN Weibin

Liquefied petroleum gas (LPG) is a clean fuel and essential chemical feedstock. This review summarizes recent advances in the hydrogenation of CO and CO2 (COx) to LPG, focusing on the design and optimization of bifunctional catalysts. The adsorption and activation of COx on various metal oxide surfaces, as well as the influence of zeolite pore structure and acidity on LPG selectivity, are critically evaluated. The synergistic effects between metal oxide and zeolite components in promoting LPG production and enhancing catalyst stability are elucidated. Key catalyst systems, including GaZrOx/H-SSZ-13 and InZrOx-Beta composites, demonstrate high selectivity to propane and isobutane-enriched C4 alkanes, respectively. The review highlights the importance of balancing methanol synthesis and hydrocarbon conversion functionalities to achieve high LPG yields while suppressing undesired methane and CO formation. Challenges such as catalyst deactivation and the need for precise control of acid site density are discussed. This work provides theoretical guidance for the rational design of highly efficient catalytic systems for COx hydrogenation to LPG, contributing to carbon resource utilization and emission reduction.

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Research Progress on Bifunctional Catalysts for Hydrogenation of COx to Liquefied Petroleum Gas

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.1016/S1872-5813(25)60626-8• Jan 15, 2026

Design Strategies and Recent Advances in Cellulase-Mimetic Solid Acid Catalysts

Authors: WANG Youhua, CAO Shuling, LONG Tianyi, ZOU Chuanjun, CHENG Xu, ZHU Wanbin, WANG Hongliang

The dense crystalline structure and limited accessibility of cellulose severely hinder its efficient catalytic conversion. In response, biomimetic solid acid catalysts inspired by cellulase binding domains (CBDs) have emerged as a promising strategy to enhance cellulose hydrolysis by mimicking the substrate recognition and enrichment functions of natural enzymes. This review systematically summarizes recent advances in the design of CBD-mimetic solid acids based on four representative strategies: electrostatic anchoring, hydrophobic microenvironment engineering, spatial confinement, and covalent lock-and-key mechanisms. The underlying principles of these approaches, including substrate-specific recognition, local concentration enhancement, and synergistic “adsorption-catalysis” effects, are critically discussed to elucidate their contributions in improving catalytic affinity, selectivity, and durability. Despite significant progress, challenges such as mass-transfer resistance and insufficient structural robustness remain in complex biomass conversion systems. Looking forward, the integration of sub-enzymatic materials, such as carbon quantum dots (CQDs), into biomimetic catalysts offers new opportunities to achieve efficient, recyclable, and hierarchically organized catalytic systems, thereby providing a powerful route for the sustainable valorization of cellulose and other lignocellulosic resources.

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Design Strategies and Recent Advances in Cellulase-Mimetic Solid Acid Catalysts

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Original ResearchVol. 54, Issue 5 • pp. 100-112DOI: 10.1016/S1872-5813(26)60701-3• Jan 15, 2026

Construction of electron-rich active sites in the metallic active phase of iron-based hydrogenation catalysts and their regulation on HDN pathway selectivity

Authors: LI Xiaohan, LI Meng, WEI Chongbin, REN Shenyong, GUO Qiaoxia, ZHU Xiaochun, SHEN Baojian

Hydrodenitrogenation (HDN) is an effective method for removing nitrogen-containing heteroatom compounds from inferior feedstocks, with the core challenge being the development of catalysts that combine low cost and high performance. In this study, a FeZn-supported catalyst was modified by introducing six different metal promoters (La, Ti, Ce, Mn, Mg, and Cr). It was found that Cr exhibited a pronounced promotional effect on HDN performance. The promoting effect of Cr on the FeZn catalyst's activity originates from its electronic interaction with sulfided Fe species, rather than functioning as an independent active site. Specifically, Cr and Zn species act synergistically as electron donors, transferring electron density to the sulfided Fe species, thereby modulating the electronic structure of Fe to render it in an electron-rich state. This increased electronic density weakens the Fe–S bonds in the active phase, promoting their cleavage and facilitating the formation of hydrogenation active sites known as coordinated unsaturated sulfur vacancies (CUS). After introducing 3% Cr, under conditions of 340–380 °C, 4 MPa pressure, and a high weight hourly space velocity (WHSV) of 8.7 h−1, the catalyst's HDN conversion rate for the basic nitrogen compound quinoline increased by 14.5%–19.7% compared to the unmodified catalyst, reaching 81.9% at 380 °C. Furthermore, Cr introduction increased the number of medium-strength Lewis acid sites, which work synergistically with the increased CUS sites to enhance overall hydrogenation activity. Cr addition effectively governs the selectivity of the HDN pathway, with the reaction rate constant for the deep hydrogenation pathway over the FeZn3Cr@GA catalyst reaching 3.2 times that of the unmodified FeZn@GA catalyst. In summary, using Fe as the primary active metal component and regulating its electronic structure through promoters represents an effective approach for designing low-cost, high-performance HDN catalysts.

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Construction of electron-rich active sites in the metallic active phase of iron-based hydrogenation catalysts and their regulation on HDN pathway selectivity

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60653-6• Jan 15, 2026

Study on the coke deposition characteristics of hierarchical ZSM-5 zeolites with synergistic regulation of pore structure and temperature in benzene catalysis

Authors: ZENG Qingzhou, HAN Xuefeng, ZHAO Hongyu, LI Jihui, LIU Shucheng

Carbon deposition caused by mass transfer limitations is a key challenge for traditional microporous ZSM-5 zeolites in coal tar catalytic cracking. To address this, benzene was used as a model compound. Parent ZSM-5 (NL-ZSM-5) was modified with tetraethylammonium hydroxide (TEAOH) to prepare hierarchical ZSM-5 zeolites with different mesopore sizes. Characterization (XRD, FT-IR, BET, TEM) confirmed successful mesopore introduction via selective desilication while retaining the MFI structure. At TEAOH concentration of 0.4 mol/L (ZSM-5-C), total pore volume increased from 0.24 to 0.43 cm3/g, and Brønsted acid amount increased from 0.28 to 0.67 mmol/g, with improved acid site accessibility. Catalytic experiments and carbon deposition analysis showed that hierarchical pore structure inhibits coking via a synergistic effect of diffusion enhancement and adsorption-site regulation. The coke amount of ZSM-5-C was 4.0%, only one-third of that of NL-ZSM-5 (11.9%). Molecular dynamics simulations confirmed that the diffusion coefficient of benzene in a 3.0 nm mesopore model is an order of magnitude higher than in a 2.0 nm model. Adsorption capacity decreases with increasing mesopore size, shortening residence time. Increasing temperature enhances diffusion but exponentially intensifies surface condensation reactions (Arrhenius effect), which dominates coke formation; hierarchical pores mitigate this negative effect. This research provides a theoretical basis for designing high-efficiency, coke-resistant catalysts for coal tar conversion.

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Study on the coke deposition characteristics of hierarchical ZSM-5 zeolites with synergistic regulation of pore structure and temperature in benzene catalysis

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(25)60624-4• Jan 15, 2026

Recent Advances in Catalysts for the Highly Selective Conversion of Syngas into Para-Xylene

Authors: GU Yongqiang, SUI Jiancai, XING Tao, LI Tao, LIU Guangbo, TAN Minghui, LIU Qiang, Noritatsu Tsubaki

Para-xylene (PX) is a critical chemical feedstock for producing polyesters, plastics, and fibers, with China's 2024 consumption reaching 40 million tons (63% of global total) and an import dependency of 17%. Conventional naphtha-based routes face feedstock security and cost volatility, prompting interest in syngas conversion. This review systematically examines recent catalyst developments for direct syngas-to-PX-rich aromatics, focusing on three systems: Fischer-Tropsch synthesis (FTS) catalyst/zeolite coupling, methanol synthesis catalyst/zeolite synergy, and dual-engine/zeolite catalysis. Critical parameters such as active component electronic structure, promoter effects, and zeolite pore topology are analyzed to reveal governing principles of activity, selectivity, and stability. Reaction mechanisms via olefin, methanol, and dual-intermediate pathways are explored. Current bottlenecks include coordinated optimization of activity and stability, and unclear regulation of PX selectivity. Future research directions are proposed to address these challenges.

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Recent Advances in Catalysts for the Highly Selective Conversion of Syngas into Para-Xylene

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(25)60615-3• Jan 15, 2026

Mechanistic Study on the Enhanced Synergistic Effect in Co-pyrolysis of Huangling Coal and Enzymatic Hydrolysis Lignin via Hydrothermal Pretreatment

Authors: BAI Zhuangwei, ZHOU Anning, ZHANG Huaiqing, ZHANG Zhi, XI Dong, CHEN Fuxin, HE Xinfu

Co-pyrolysis of oil-rich coal and biomass is a promising route to enhance oil and gas production, yet the underlying synergistic mechanisms remain poorly understood. This study investigates the effect of hydrothermal pretreatment (HTP) on the co-pyrolysis of Huangling coal (H) and enzymatic hydrolysis lignin (E). Raw and pretreated samples were characterized via proximate/ultimate analysis, SEM, ICP-OES, and 13C-NMR. Fixed-bed pyrolysis experiments were conducted to evaluate synergistic performance. Results show that HTP reduces oxygen content, develops pore structure, and increases concentrations of inorganic metal ions (Ca, K, Fe) in the aqueous phase. Structural modifications bring the carbon skeleton of E closer to that of H, with increased bridge carbon ratio and improved thermal stability, aligning pyrolysis temperature ranges. For the H/E blend (8:2) after 24 h HTP, tar yield increases by 80.52% compared to untreated blend, with significant rises in aliphatic compounds and monocyclic aromatic hydrocarbons. Gas yields of H2, CO, and CH4 increase by 5.47%, 10.98%, and 9.27%, respectively, while CO2 and pyrolysis water generation are inhibited (water yield decreases by 93.98%). Semi-coke pore structure becomes more developed. The enhanced synergistic effect is attributed to a multi-fold mechanism of 'component interaction-structural modification-catalytic cracking'. These findings provide theoretical support for developing technologies to improve co-pyrolysis of oil-rich coal and biomass, advancing low-carbon, high-quality utilization.

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Mechanistic Study on the Enhanced Synergistic Effect in Co-pyrolysis of Huangling Coal and Enzymatic Hydrolysis Lignin via Hydrothermal Pretreatment

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60678-0• Jan 15, 2026

Oil Production from Thermal Liquefaction of Polyethylene in Low-Pressure Superheated Methanol

Authors: ZHAO Peitao, SONG Chengye, FU Binbin, PENG Xiong, WANG Jingyi, FENG Chao, YE Puhai, ZHOU Haiyun

Improper disposal of plastic waste represents both the loss of valuable resources and significant environmental threat. This study investigates the thermal liquefaction of high-density polyethylene (HDPE) using low-pressure superheated methanol. It systematically evaluates the effects of reaction temperature and the ratio of reactant to methanol on liquefaction efficiency and product characteristics. Results indicate that complete conversion of HDPE can be achieved in low-pressure superheated methanol (<0.5 MPa) at a minimum external heating temperature of 260 °C. Under this condition, oil yield reached 77.1% with alkanes comprising 62.3% of the product alongside minor oxygenated compounds. As temperature increased, the average carbon number of hydrocarbons gradually decreased. Below 260 °C, HDPE conversion decreased significantly, and products were primarily waxy. At 290 °C, the proportion of gasoline-like fractions (C6–C12) increased markedly from 16.6% to 80.9%. Furthermore, reactant ratio plays a critical regulatory role; extremes in ratio—either too high or too low—diminish heat transfer efficiency and reduce conversion. Mechanistically, liquefaction primarily involved cleavage of secondary C−C bonds, where resulting oligomers further cracked into free radicals to form diverse hydrocarbons through secondary reactions. This work demonstrates that low-pressure superheated methanol liquefaction is a mild, efficient, and pretreatment-free method to upcycle polyethylene into valuable fuels. Optimizing these process parameters can pave the way for industrial application, aiding in both plastic pollution management and sustainable resource recovery.

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Oil Production from Thermal Liquefaction of Polyethylene in Low-Pressure Superheated Methanol

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60659-7• Jan 15, 2026

Synthesis of ZSM-5 Molecular Sieve from Coal Gasification Fine Slag and Its Adsorption Mechanisms for Pb2+ in Aqueous Solution

Authors: JIAO Facun, YU Jie, GAO Shengtao, ZHANG Yuanchun, LIU Tao, MAO Lirui, WU Chengli, LI Hanxu, DONG Zhongbing

Coal gasification fine slag (CGFS), a solid waste from entrained-flow coal gasification, is characterized by fine particles and high silicon and aluminum content. This study proposes a simple and economical hydrothermal synthesis of ZSM-5 molecular sieve using CGFS as raw material. Impurities were removed by acid washing, followed by alkaline extraction of silicon and aluminum species. The extracted Si-Al precursors were crystallized hydrothermally at 170 °C for 48 h, yielding ZSM-5 with a high specific surface area of 358 m2/g. Adsorption experiments showed that the synthesized ZSM-5 exhibited excellent Pb2+ removal performance: at 25 °C, the removal efficiency for a 50 mg/L Pb2+ solution reached 83.7%, with an adsorption capacity of 104.625 mg/g under optimized conditions. The adsorption process is mainly governed by chemisorption mechanisms, including surface complexation, precipitation, and ion exchange. Thermodynamic analyses indicated that Pb2+ adsorption is spontaneous and endothermic, consistent with multilayer chemisorption. The synthesized ZSM-5 shows promising potential for application in the treatment of lead-containing wastewater, offering a high-value utilization route for coal-based solid waste.

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Synthesis of ZSM-5 Molecular Sieve from Coal Gasification Fine Slag and Its Adsorption Mechanisms for Pb2+ in Aqueous Solution

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60645-7• Jan 15, 2026

Research Progress on Mn-Based Catalysts for Catalytic Combustion of Volatile Organic Compounds

Authors: LUO Guangjun, CHEN Shuang, YIN Hong, ZENG Jia, XIE Hongmei, ZHOU Guilin

Volatile organic compounds (VOCs) from diverse sources severely impact atmospheric environment and human health. Manganese (Mn)-based catalysts, with exceptional structural diversity and abundant redox versatility, are widely used in catalytic combustion of VOCs. This review summarizes the catalytic performance of various Mn-based catalysts, emphasizing preparation strategies for high-performance materials and systematically analyzing how active site construction influences VOC combustion. Catalytic oxidation mechanisms are expounded in detail. Key aspects include MnOx polymorphs, doping with alkali metals (e.g., K+), transition metal composites (Co, Cu), and noble metal loading (Pt, Pd, Au). Performance metrics such as T90 values, oxygen vacancy concentrations, and specific surface areas are discussed. The review provides insights into deactivation mechanisms and anti-poisoning strategies, offering practical guidance for VOC pollution remediation.

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Research Progress on Mn-Based Catalysts for Catalytic Combustion of Volatile Organic Compounds

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60643-3• Jan 15, 2026

Mechanistic Insights into CO Adsorption Modes on Pt-Based Supported Catalysts

Authors: HE Kai, SU Xuyan, QU Zhuang, YANG Ye, QIN Yucai, SONG Lijuan

The adsorption behavior and electron transfer mechanism of CO on Ptn/γ-Al2O3 catalysts (n = 4, 13) were systematically investigated using density functional theory (DFT) calculations, complemented by infrared (IR) spectroscopy, electron difference density (EDD), and charge decomposition analysis (CDA). The study reveals that Pt cluster size critically governs the adsorption configuration, electron transfer, and C–O vibrational frequency. For small Pt4 sub-nanometric clusters, highly unsaturated Pt atoms exhibit strong d-electron back-donation, leading to substantial filling of CO π* antibonding orbitals, significant weakening of the C–O bond, and a redshift in IR frequency. Conversely, large Pt13 clusters, characterized by dense structures and electron delocalization, exhibit weakened back-donation, enhanced C–O bonding, and a blueshift. The electron transfer intensity follows the order: linear < bridge < multi-terminal adsorption. Bridge adsorption is most sensitive to cluster size, displaying an IR blueshift of 81 cm−1 when Pt atoms increase from 4 to 13. Multi-terminal adsorption shows stable frequencies due to a 'saturation effect'. This study establishes a comprehensive correlation among Pt size, electronic structure, adsorption properties, and infrared response, providing atomic-scale theoretical guidance for designing efficient Pt-based catalysts with optimized CO adsorption strength and resistance to poisoning.

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Mechanistic Insights into CO Adsorption Modes on Pt-Based Supported Catalysts

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60638-X• Jan 15, 2026

Research progress on the role of oxygen vacancy in catalysts for dry reforming of methane

Authors: CHEN Kai, CHEN Yuxiang, ZHANG Yexin, ZHANG Jian

The extensive emission of greenhouse gases, primarily CO2 and CH4, has contributed to intensified global warming. Dry reforming of methane (DRM, CH4 + CO2 → 2CO + 2H2) offers a pathway for the synergistic utilization of these two major greenhouse gases, presenting important implications for both environmental protection and energy sustainability. However, the catalysts still face challenges such as carbon deposition and sintering of active metals, which adversely affect the catalytic performance and long-term stability. Oxygen vacancies, which are common lattice defects in metal oxides, have been demonstrated to improve the DRM performance by modulating the surface and interfacial properties of the catalysts. This review systematically summarizes research progresses in DRM over the past decade, outlines the major challenges and emphasizes the critical roles of oxygen vacancies in suppressing carbon deposition and inhibiting metal sintering. Furthermore, the mechanisms through which oxygen vacancies influence DRM reactions are discussed, combined with their formation pathways and regulation strategies. These insights provide essential theoretical foundations for the design and synthesis of highly efficient and stable DRM catalysts.

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Research progress on the role of oxygen vacancy in catalysts for dry reforming of methane

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60639-1• Jan 15, 2026

Ni/CaO-ZrO2-Al2O3 Catalyst for CO2 Methanation: Enhanced Low-Temperature Activity and High-Temperature Sintering Resistance

Authors: LI Jia, SUI Qingqing, JIANG Yanan, BAI Yang, LIU Yuan

Ni/Al2O3 is regarded as one of the most promising catalysts for industrial CO2 methanation, yet it suffers from inadequate low-temperature activity and thermal sintering. To address these challenges, an Ni/CaO-ZrO2-Al2O3 catalyst with high low-temperature activity and robust high-temperature sintering resistance was developed by introducing Ca and Zr promoters. Under reaction conditions of 250 °C and a space velocity of 30000 mL/(g·h), the catalyst achieved a CO2 conversion of 96% and a methane space-time yield of 257.5 mmol/(g·h). In a 200 h aging test at 600 °C, the Ca-Zr dual-promoted catalyst exhibited a smaller increase in Ni particle size and less activity loss compared to the Ca-promoted counterpart. Characterization revealed that Ca and Zr promoters not only improve Ni dispersion but also enhance surface basicity, contributing to excellent low-temperature activity. Furthermore, Zr suppresses the transformation of Ca species into CaCO3 via solid-phase reaction under operating conditions, thereby inhibiting Ni sintering and ensuring high-temperature stability. This work provides a novel promoter design strategy for developing high-performance Ni-based catalysts for CO2 methanation.

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Ni/CaO-ZrO2-Al2O3 Catalyst for CO2 Methanation: Enhanced Low-Temperature Activity and High-Temperature Sintering Resistance

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(25)60628-1• Jan 15, 2026

MoO2(acac)2-encapsulated in TS-1 zeolite catalyst for CO2 coupling with olefins to cyclic carbonates

Authors: XING Mengjiao, TANG Jianyu, ZHAO Yindi, CAI Yushan, LIANG Xingkai, XIE Jinxia, ZHANG Tianfu, FANG Yiwen, LIU Suyao

The coupling of CO2 with olefins to produce cyclic carbonates has emerged as an important research topic in sustainable chemistry, owing to its high atom economy and the wide applicability of the resulting products. However, this reaction faces a significant challenge due to the mismatch between the rates of the epoxidation and cycloaddition steps. In this work, a series of TS-1 zeolite catalysts encapsulating different amounts of molybdenum acetylacetonate were prepared through hydrothermal synthesis followed by post-treatment, with the aim of elucidating the rate balance between the epoxidation and cycloaddition steps and the underlying regulation mechanism. Characterization results show that the Mo species were present as highly dispersed molybdenum acetylacetonate complexes that were stably confined within the TS-1 framework. These complexes interact electronically with the tetra-coordinated Ti sites to form synergistic active centers, while imposing negligible effects on the zeolite structure and porosity. In the CO2-styrene coupling reaction, tuning the Mo loading enabled effective control over the epoxidation rate, thereby achieving an appropriate balance with the subsequent cycloaddition step. The optimized catalyst delivered excellent performance under mild conditions, with a styrene conversion of 83.4% and a selectivity of 75.3%, and also exhibited outstanding recyclability. Overall, this encapsulated catalyst successfully addresses the dual challenges of rate matching and active-site stability in CO2–olefin coupling, providing valuable insights for the rational design of efficient, durable bifunctional catalysts.

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MoO2(acac)2-encapsulated in TS-1 zeolite catalyst for CO2 coupling with olefins to cyclic carbonates

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0034• Jan 15, 2026

Effects of Zeolite Type and Acidic Properties on the Catalytic Cracking Performance of Dodecane

Authors: MA Wenshuo, YANG Zhihao, CHEN Mengxin, WANG Jingxian, TIAN Yuanyu, QIAO Yingyun

Catalytic cracking of gasoline and diesel to light olefins is a pivotal route for high-value utilization of surplus fuels, typically employing zeolite catalysts. This study systematically investigates the effects of zeolite type and acidic properties on the catalytic cracking of dodecane, a diesel model compound, using SAPO-34, ZSM-5 with SiO2/Al2O3 ratios of 38, 85, and 200, and USY. Catalysts were characterized by XRD, SEM, N2 physisorption, NH3-TPD, and pyridine-FTIR, and evaluated in a fixed-bed reactor. Results demonstrate that zeolite type is the primary determinant of conversion and product distribution. SAPO-34, with 0.38 nm pores, achieved only 24.33% conversion and negligible BTX yield, with severe external coking. ZSM-5-38 and USY, with larger pores, achieved near-complete conversion; however, ZSM-5-38, possessing moderate acidity, yielded the highest light olefins (18.40%) and minimal coke (0.18%), while USY, with higher acidity, promoted hydrogen transfer and coking (12.90% coke). Within ZSM-5 series, lower acid site density (ZSM-5-200) proved optimal, achieving 97.79% conversion and a total light olefin yield of 41.93% (ethylene 11.11%, propylene 20.33%, butenes 10.49%) with low coke (0.43%). The study proposes reaction pathways and regulatory mechanisms, highlighting that zeolite type and acidity govern the relative rates of cracking, hydrogen transfer, oligomerization, aromatization, and coking, thereby dictating performance. These findings provide a rational basis for optimizing zeolite catalysts in commercial gasoline/diesel cracking processes.

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Effects of Zeolite Type and Acidic Properties on the Catalytic Cracking Performance of Dodecane

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.3724/2097-213X.2025.JFCT.0037• Jan 15, 2026

Selective Hydrogenation Performance of Pd Catalysts Supported on Alumina Microspheres

Authors: SHANG Bin, SUN Limin, HU Xiaoli, LAI Weikun, FANG Weiping, YI Xiaodong

Alumina microspheres with a lamellar-assembled flower-like morphology were synthesized via a urea-assisted hydrothermal method and used as supports to prepare Pd/Al2O3-M catalysts by incipient wetness impregnation. The catalytic performance was evaluated in the selective hydrogenation of isoprene and the hydrogenation of 2-ethylanthraquinone for hydrogen peroxide production, and compared with a commercial alumina-supported Pd catalyst (Pd/Al2O3). Characterization revealed that the flower-like structure, composed of stacked nanosheets, promoted high Pd dispersion and enhanced metal-support interaction, leading to a higher surface Pd content and more abundant active sites. Under 60 °C and 1 MPa H2, Pd/Al2O3-M achieved 95.2% conversion of isoprene with 98.3% total selectivity to isoamylenes, and exhibited good stability over 24 h. In anthraquinone hydrogenation, it reached a hydrogenation efficiency of 15.8 g/L, a 27.4% improvement over Pd/Al2O3 (12.4 g/L). The study demonstrates that modulating carrier morphology is an effective strategy to simultaneously enhance activity, selectivity, and stability of Pd catalysts, offering a promising approach for designing efficient hydrogenation catalysts.

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Selective Hydrogenation Performance of Pd Catalysts Supported on Alumina Microspheres

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60650-0• Jan 15, 2026

Research Progress on Catalytic Pyrolysis of Biomass for Aldehyde and Ketone Production

Authors: WANG Hengwei, QIU Li, GE Zefeng, YUAN Xinhua, HUANG Pu, CUI Dongxu, LI Jinjin, CHEN Dengyu

Aldehydes and ketones are valuable oxygen-containing organic intermediates essential for synthesizing fine chemicals, fuels, and materials. Lignocellulosic biomass, as the most abundant renewable carbon resource with an annual production exceeding 180 billion tons, offers a sustainable route to produce platform carbonyl compounds such as furfural, 5-hydroxymethylfurfural (HMF), and low-molecular-weight aliphatic ketones via pyrolysis. This review systematically summarizes recent progress in catalytic pyrolysis of biomass for aldehyde and ketone production. It first outlines the structural features, types, and biomass-derived origins of typical carbonyl platform molecules. Second, it compares the decomposition pathways and intermediate evolution behaviors of cellulose-rich, hemicellulose-rich, and lignin-rich biomasses under non-catalytic pyrolysis, clarifying the influence of multicomponent synergistic effects on aldehyde and ketone formation. Particular emphasis is placed on the mechanistic roles and dominant reaction pathways of metal salts, metal oxides, and carbon-based catalytic systems in regulating key steps such as dehydration, decarbonylation, C−O/C−C bond cleavage, and skeletal rearrangement. The review identifies major challenges, including unclear catalyst structure-activity relationships, inadequate active site stability, and limited product selectivity. Future perspectives propose rational design of multilevel structured catalysts, integration of in situ characterization with multiscale simulation, and development of green scale-up and process integration strategies. This work aims to provide a systematic theoretical reference for high-value biomass utilization and renewable carbon conversion.

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Research Progress on Catalytic Pyrolysis of Biomass for Aldehyde and Ketone Production

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60642-1• Jan 15, 2026

Influence Mechanism of Acidic Mineral Components on the Reaction Behavior of Ion-Exchangeable Calcium during Coal Pyrolysis

Authors: LI Hongsheng, HAO Pan, YAN Lunjing, KONG Jiao, WANG Meijun, BAO Weiren, CHANG Liping

Inherent minerals significantly influence the thermal conversion of coal, yet the interaction mechanisms among minerals affecting tar generation during pyrolysis remain unclear. This study investigates the effect of acidic mineral components on the behavior of ion-exchangeable Ca2+ during coal pyrolysis. Coal samples were prepared via HCl and HCl-HF acid washing followed by Ca2+ ion exchange. Pyrolysis was conducted in a fixed-bed reactor. Acid washing effectively reduced ash content but also decreased organic element contents (carbon, hydrogen). Loading ion-exchangeable calcium enhanced the thermal weight loss rate in the 500–550 °C range, shifting the peak temperature from 530 °C to 514 °C. At a final pyrolysis temperature of 600 °C with slow heating, kaolinite in acidic minerals underwent dehydroxylation to form metakaolin. The content of small aromatic rings (<6 rings) in char from Ca-loaded coal was lower than that from acid-washed coal without Ca. Coexistence of acidic minerals with ion-exchangeable Ca increased aliphatic hydrocarbon content in tar: YL-HCl-Ca reached 21.98% versus 13.60% for YL-De-Ca. Acidic mineral components inhibit the adverse effect of ion-exchangeable Ca2+ on tar lightening. These findings provide insights into mineral interactions during pyrolysis, aiding in optimizing coal conversion processes for improved tar quality.

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Influence Mechanism of Acidic Mineral Components on the Reaction Behavior of Ion-Exchangeable Calcium during Coal Pyrolysis

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60648-2• Jan 15, 2026

Effect of Mixing Modes on Integrated Process of Co-pyrolysis of Coal and Biomass with CO2 Reforming of Methane to Improve Tar Yield

Authors: LUO Jie, ZHANG Shuhao, ZHONG Mei, DAI Zhenghua, LIU Yang, JIN Lijun

The influence of mixing modes on the integrated process of co-pyrolysis of Naomaohu coal (NMH) and elm (ELM) with CO2 reforming of methane (CP-CRM) was investigated over Ni-based catalysts prepared by ball milling. Three mixing modes—NMH/ELM, ELM/NMH, and Blends—were examined and compared with co-pyrolysis under N2 (CP-N2). Results show that product distribution was significantly affected by mixing mode. The Blends mode achieved the highest tar yield, increasing by 35.29% compared with CP-N2. Light oil content in tar was higher, while pitch content was lower for Blends relative to layered modes. Phenols content in tar from Blends was 19.52% higher than CP-N2, and free radical concentration in tar was higher, attributed to enhanced heat and mass transfer between particles by mechanical mixing, promoting complete pyrolysis and efficient utilization of hydrogen-rich free radicals (·H, ·CHx) to suppress secondary cracking and polymerization. In contrast, NMH/ELM mode in CP-CRM improved phenols content by 33.27% over CP-N2. Free radical concentration in tar during CP-CRM was lower than in CP-N2, indicating timely stabilization of pyrolysis radicals by reforming-generated radicals. These findings provide guidance for regulating tar yield and composition in co-pyrolysis processes.

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Effect of Mixing Modes on Integrated Process of Co-pyrolysis of Coal and Biomass with CO2 Reforming of Methane to Improve Tar Yield

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60683-4• Jan 15, 2026

A Computational Dataset for C1 Molecular Catalytic Conversion over Iron-Based Catalysts

Authors: ZHANG Jian, LI Chaochao, LU Kuan

The catalytic conversion of C1 molecules (e.g., CO, CO2) is pivotal for sustainable C1 chemistry and low-carbon transformation. A profound understanding of microscopic reaction mechanisms requires systematic theoretical and experimental data. This study constructs a computational dataset for C1 molecular catalytic conversion over iron-based catalysts, focusing on Fe5C2 and systematically integrating multidimensional information on adsorption, dissociation, and formation reactions across crystal surfaces (001, 111, 510). The dataset comprises 690 directories and 1961 files, including 96 configurations for Fe5C2(001), 93 for Fe5C2(111), and 472 for Fe5C2(510). It covers adsorbed states (e.g., COH, H2), dissociated states (e.g., CO under 2H conditions), and formation states (e.g., CH/CH3 under 2H and H2O conditions). A standardized hierarchical storage system categorizes reaction types, crystal surfaces, and structural parameters. This dataset serves as a benchmark for validating quantum chemical methods and provides critical data support for catalyst design and reaction pathway optimization by uncovering coupling effects of crystal surfaces and reaction mechanisms. The data are publicly available via DOI: 10.57760/sciencedb.34259.

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A Computational Dataset for C1 Molecular Catalytic Conversion over Iron-Based Catalysts

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60675-5• Jan 15, 2026

A Dataset of Nickel and Cobalt Based Phosphides for Electrocatalytic Oxygen Evolution Reaction in Alkaline Solution

Authors: LU Xinyu, WU Jianghong, WANG He, WANG Chao

Hydrogen as an energy carrier offers a promising route to mitigate environmental issues from fossil fuel use. Efficient and inexpensive electrocatalysts for the oxygen evolution reaction (OER) in alkaline media are critical for advancing alkaline water electrolyzers. Transition metal phosphides (TMPs) are promising (pre-)catalysts for OER. This dataset compiles and compares the electrocatalytic OER activity of nickel- and cobalt-based phosphides. The phosphides were synthesized via solvothermal phosphidization or electrodeposition, and their OER activities were evaluated using linear sweep voltammetry in 1 mol/L KOH. Cyclic voltammetry and electrochemical impedance spectroscopy were also performed. The dataset comprises 312 files totaling 14.5 MB. It provides key electrocatalytic parameters and enables analysis of the influence of metal doping, solvothermal conditions (solvent and precursors), and crystallinity on OER activity. This dataset serves as a benchmark for evaluating Ni and Co phosphide materials for alkaline OER and provides a foundation for designing more active TMP-based electrocatalysts through comparative analysis. The materials may also be applied to other reactions such as hydrogen evolution, alcohol oxidation, and CO2 reduction, relevant to fuel cells, electrolyzers, and metal-air batteries, as well as in lithium/sodium-ion batteries and anticorrosion coatings.

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A Dataset of Nickel and Cobalt Based Phosphides for Electrocatalytic Oxygen Evolution Reaction in Alkaline Solution

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Original ResearchVol. 54, Issue 6 • pp. 100-112DOI: 10.1016/S1872-5813(26)60695-0• Jan 15, 2026

Research Progress in Catalysts for Direct Carbonylation of Glycerol with CO2 to Glycerol Carbonate

Authors: WANG Yuhua, LI Hongguang, XU Ying, KOU Yongli, ZHAO Mingxing, ZHAO Ning

The direct carbonylation of glycerol with CO2 to glycerol carbonate represents a promising route for CO2 utilization, addressing both carbon emission reduction and the synthesis of value-added chemicals. However, the reaction is thermodynamically limited, resulting in low glycerol conversion, necessitating the use of coupling agents and appropriate catalysts. This review systematically examines recent progress in homogeneous catalysts (inorganic and organic bases) and heterogeneous catalysts (Zn, Cu, Ce, La, Mg, noble metals, modified zeolites, non-metallic materials) for this transformation. Strategies such as metal oxide modification, support optimization, precursor selection, and construction of acidic-basic sites are analyzed for enhancing catalytic performance. The effects of coupling agents including acetonitrile, adiponitrile, 2-cyanopyridine, MgCO3, CaC2, and NaHCO3 are summarized. Notably, 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU), Zn(QTf)2, and metal composite oxides like ZnO-CeO2 have demonstrated promising catalytic performance. Future research directions include developing organometallic complexes or composite metal oxides with highly dispersed active sites and tailored morphologies to modulate surface area, pore size, and acidity/basicity; optimizing coupling agents or designing novel membrane reactors to improve glycerol conversion; and introducing polar solvents to enhance reactant adsorption and activation. These approaches provide valuable references for catalyst design and reaction system optimization in the carbonylation of glycerol with CO2.

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Research Progress in Catalysts for Direct Carbonylation of Glycerol with CO2 to Glycerol Carbonate

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60651-2• Jan 15, 2026

Catalytic Conversion of Carbohydrates: Opportunities and Challenges en Route to Fuels and Chemicals

Authors: LUO Yang, LING Wenmeng, WANG Chenguang

Carbohydrates, derived from abundant biomass resources, hold great promise for conversion into fine platform chemicals and fuels, which is crucial for sustainable development. The processes for carbohydrate conversion are predominantly driven by catalysis, with active components such as Brønsted acids and Lewis acids. This review provides a comprehensive overview of the catalytic conversion of various carbohydrates (monosaccharides, disaccharides, and polysaccharides) into high-value-added compounds. It elaborates on the specific pathways and mechanisms involved in reactions like hydrolysis, isomerization, and dehydration for target molecules such as 5-hydroxymethylfurfural, lactic acid, and furfural. Furthermore, the subsequent derivatization of these platform compounds and their application prospects in energy-related fields, including bio-fuels and batteries, are discussed. Finally, the current challenges in research are summarized, and future directions for the development of low-cost and high-performance catalytic systems are outlined.

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Catalytic Conversion of Carbohydrates: Opportunities and Challenges en Route to Fuels and Chemicals

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60679-2• Jan 15, 2026

Research Progress on Supports for Rh-Based Catalysts in Heterogeneous Hydroformylation of Olefins

Authors: WANG Wei, FENG Rui, LI Tianbo, HU Xiaoyan, YAN Xinlong, LU Shijian

Olefin hydroformylation is a pivotal process for synthesizing high-value-added aldehydes, with applications extending from short-chain to long-chain olefins (C6+). Traditional homogeneous catalytic systems suffer from difficulties in separating and recovering precious rhodium (Rh), driving research toward heterogeneous catalytic systems. This review summarizes recent progress in supports for heterogeneous Rh-based catalysts, focusing on the influence of structural regulation strategies of inorganic oxide-supported, porous carbon-supported, organic porous polymer-based, zeolite-supported, and composite-supported catalysts on active site dispersion, regioselectivity, and cycle stability. Key findings include enhanced linear-to-branched (n/i) ratios and turnover frequencies (TOF) achieved through tailored support design. For instance, Rh1/CeO2 with morphology effects demonstrates molecular-level understanding of support effects, while Rh/activated carbon with surface oxygen groups improves catalytic performance in 1-hexene hydroformylation. Porous monophosphine polymers confine atomically dispersed Rh, achieving regioselective hydroformylation. Additionally, Rh-N4 single atoms and Rh clusters dual-active sites on supports yield ultra-high TOF. The review aims to provide insights for rational design of high-performance heterogeneous hydroformylation catalysts, addressing industrial challenges of catalyst recovery and stability.

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Research Progress on Supports for Rh-Based Catalysts in Heterogeneous Hydroformylation of Olefins

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60655-X• Jan 15, 2026

Machine Learning-Assisted Discovery of Lewis Base Additives for Defect Passivation in Perovskite Solar Cells

Authors: MENG Jiangtao, DING Bin, LUO Shulin, ZHANG Qi, LI Yuanliang, WU Shuangjia, ZHAO Zhiyu, WANG Gangcheng, LIU Jun, WU Guixuan, DING Yong, ZHANG Wenyuan

Defect-induced nonradiative recombination critically restricts the power conversion efficiency (PCE) and stability of perovskite solar cells (PSCs). Lewis base additives show great promise in defect passivation, but current screening methods rely heavily on empirical trial and error and lack clear design principles, making it difficult to efficiently discover high-performance candidate materials. Here, we present a machine learning (ML) framework to intelligently screen Lewis base molecules for defect passivation. We trained six ensemble models on a dataset of 146 experimental data points, with Light Gradient Boosting Machine (LightGBM) yielding the best classification performance (87% accuracy). Shapley Additive Explanations (SHAP) interpretability analysis subsequently identifies the highest occupied molecular orbital (HOMO) energy (−7.5 to −6.3 eV), additive concentration (2.5 to 6.5 mg/mL), and simplified molecular backbones (O atom ≤ 2, C atom < 5) as critical design criteria. The ML prediction was experimentally validated: (S)-pyrrolidine-3-carboxylic acid ((S)-PCA) and 2-methyl-1,3-cyclopentanedione (MCPD) (Class Ⅱ) improved PCE by 2.22% and 2.01%, respectively, while 3-hydroxymethyl-3-methylbutanenitrile (3-HMBN) (Class Ⅰ) showed minimal gain. Density functional theory (DFT) calculations further confirmed the stronger binding affinities and elevated defect formation energies of Class Ⅱ additives. Notably, the champion (S)-PCA device achieved a PCE of 24.05%. This work established an ML-accelerated paradigm for the rational design of defect passivators, bridging data science and photovoltaics.

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Machine Learning-Assisted Discovery of Lewis Base Additives for Defect Passivation in Perovskite Solar Cells

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60680-9• Jan 15, 2026

High-throughput screening of SrxA1−xFeyB1−yO3 perovskites for low-temperature chemical looping air separation using graph neural networks

Authors: ZHAO Jie, DONG Changqing, XUE Junjie, HU Xiaoying, ZHANG Junjiao

Low-temperature chemical looping air separation (CLAS) is a promising technology for producing oxygen-enriched gas streams, utilizing the redox properties of solid oxygen carriers to selectively capture and release oxygen from air. Oxygen vacancy formation energy (Eovf) is a key descriptor for evaluating the ease of oxygen release. In this study, the applicable range of Eovf for CLAS oxygen carriers was determined to be <2.3 eV via thermodynamic calculations. A graph neural network (GNN) model, specifically the ALIGNN architecture, was trained to predict Eovf with a mean absolute error (MAE) of 0.26 eV on the test set. Using this model, a high-throughput screening of 3,649 compositions of SrxA1−xFeyB1−yO3 perovskites was conducted to identify promising CLAS oxygen carriers. The predictions revealed that doping with Ba and Ca at the A-site and Co at the B-site effectively reduces Eovf. The screening criterion of Eovf < 2.3 eV successfully rediscovered several previously reported low-temperature CLAS oxygen carriers, validating the approach. This work demonstrates that GNN-based Eovf prediction can significantly accelerate the discovery of CLAS materials, with broader implications for other chemical looping applications such as full oxidation and syngas production.

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High-throughput screening of SrxA1−xFeyB1−yO3 perovskites for low-temperature chemical looping air separation using graph neural networks

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60676-7• Jan 15, 2026

Investigating the migration mechanisms of heavy metals under silicate polymerization in gasification slag from landfilled municipal solid waste with rice husk addition

Authors: HUANG Qinwei, TANG Longfei, LIU Xia, PAN Weitong, CHEN Xueli, WANG Fuchen

Landfilled municipal solid waste (MSW) in China exceeds 8 billion tons, with high moisture (30–50%) and ash content (>50%), complicating conventional treatment. Slag gasification offers a clean and resource-oriented route, but heavy metal leaching from the resulting slag poses environmental risks. This study investigates the effect of rice husk addition (5–15%) on the vitrification of landfilled-waste slag and the immobilization of heavy metals (Cr, Zn, Cu). Results show that adding 5–10% rice husk lowers the slag flow temperature to a minimum of 1213 °C, attributed to active SiO2 reacting with CaO and Fe2O3 to form low-melting eutectics like anorthite. Leaching concentrations of Cr and Zn decrease from 41.60 and 108.00 mg/L to 5.89 and 7.10 mg/L, respectively, with 10–15% rice husk. The amorphous SiO2 enhances silicate polymerization (Q3, Q4 networks), promoting physical encapsulation and chemical incorporation of heavy metals into stable phases such as Zn2SiO4 and CuFe2O4, increasing the residual fraction and reducing bioavailability. At temperatures >1400 °C, volatilization of Cu and Zn increases, with residual rates dropping to 33–60% and 31–55%, respectively, while Cr remains stable (70–123%). This work elucidates the mechanistic role of rice husk in slag structure modulation and heavy metal immobilization, providing a theoretical basis for the co-treatment of landfilled waste and biomass via a 'treating waste with waste' strategy.

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Investigating the migration mechanisms of heavy metals under silicate polymerization in gasification slag from landfilled municipal solid waste with rice husk addition

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60661-5• Jan 15, 2026

Green Synthesis of Hierarchical NaY Zeolite from Perlite for Enhanced Knoevenagel Condensation

Authors: DONG Peng, ZHU Lin, LI Tiesen, CUI Qingyan, YUE Yuanyuan

Hierarchical aluminum-rich zeolites are promising catalysts for Knoevenagel condensation, but their synthesis is often costly and energy-intensive. This work reports a green route to hierarchical NaY zeolite using submolten salt (SMS) activated perlite as the sole silicon and aluminum source. The product exhibits high purity and crystallinity, with a framework SiO2/Al2O3 molar ratio of approximately 4.2, intercrystalline mesopores centered at about 20 nm, large external surface area, and abundant basic sites. Crystallization studies reveal that small crystals initially assemble on the activated perlite surface, then grow and aggregate to form a crystal-packed morphology with intercrystalline mesopores. In the Knoevenagel condensation of benzaldehyde with ethyl cyanoacetate, the hierarchical NaY zeolite achieves higher benzaldehyde conversion than conventional NaY zeolites, attributed to improved mass transfer and increased basic site accessibility. This work provides a cost-effective and sustainable catalyst while valorizing natural perlite.

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Green Synthesis of Hierarchical NaY Zeolite from Perlite for Enhanced Knoevenagel Condensation

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60656-1• Jan 15, 2026

Construction of Calcium-Manganese Composite Desulfurizer for Synergistic Removal of SO2/Hg0

Authors: LIU Shuaipeng, LI Dalai, REN Zihan, LIU Jie, WANG Lidong

Under the carbon neutrality strategy, biomass boilers have emerged as key facilities for renewable energy utilization, yet are characterized by low-concentration SO2 emissions. Ca-based dry desulfurization presents a promising technology for biomass boiler flue gas purification due to its compact structure, low capital investment and simple operation and maintenance. However, it is generally limited by the low adsorbent utilization and insufficient desulfurization efficiency. Herein, this study developed a novel Ca-Mn composite adsorbent through a synergistic strategy integrating F127 surfactant to optimize dispersion and Mn loading to enhance oxidation efficiency. The resulting adsorbent not only significantly increased the breakthrough sulfur capacity of the Ca-based material but also markedly improved the synergistic removal of Hg0. It was demonstrated that the introduction of Mn elements and F127 effectively suppressed the agglomeration of Ca(OH)2 crystallites and induced an oxygen vacancy-rich structure, while simultaneously optimizing the pore structure of the adsorbent. The modified adsorbent exhibited the enlarged specific surface area and pore volume, which favored to enhance the reaction mass transfer and effectively prevent the pore blockage and coverage of active sites by desulfurization products. The Mn sites and oxygen vacancies formed catalytic centers, which not only accelerated the desulfurization reaction by promoting SO2 oxidation but also enabled the adsorbent to couple with Hg0 catalytic oxidation functionality. Consequently, the simultaneous removal of SO2 and Hg0 was significantly enhanced on the Ca-Mn composite adsorbent.

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Construction of Calcium-Manganese Composite Desulfurizer for Synergistic Removal of SO2/Hg0

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60665-2• Jan 15, 2026

Machine learning-based prediction and optimization of the cellulose conversion process for levulinic acid production

Authors: ZHAO Huiting, XIE Yujiao, XU Dongqian, DONG Fangxu, CUI Hongyou

Levulinic acid (LA) is a promising platform product with wide industrial applications. Efficient conversion of cellulose into LA has become a research hotspot, yet traditional experimental optimization is time-consuming and inefficient. This study integrates multidimensional data—reaction conditions, solvent properties, and physicochemical characteristics of metal salts—to construct a systematic dataset. Six machine learning models (decision tree, gradient boosting regression, K-nearest neighbors, multilayer perceptron, random forest, and support vector machine) were developed to predict LA yield. The gradient boosting regression (GBR) model achieved the best performance, with a test-set determination coefficient (R²) of 0.94 and the lowest root-mean-square error (RMSE). SHapley Additive exPlanations (SHAP) and partial dependence analysis identified water fraction, catalyst dosage, and reaction temperature as the key factors influencing LA formation. By integrating the GBR model with particle swarm optimization (PSO), RuCl₃ was identified as an efficient catalyst under high-temperature and short-reaction-time conditions. This study demonstrates the potential of machine learning in cellulose conversion research, providing a data-driven strategy and theoretical guidance for efficient and green LA production.

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Machine learning-based prediction and optimization of the cellulose conversion process for levulinic acid production

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60657-3• Jan 15, 2026

Manganese Promoter Hinders Carbon Permeation on Iron-Based Catalyst Surfaces: A First-Principles Study

Authors: YANG Tao, MA Huan, LIU Xingchen

Fe-Mn catalysts have attracted considerable attention for industrial Fischer-Tropsch synthesis (FTS) due to their ability to modulate product spectra. Carbon adsorption and permeation on catalyst surfaces are critical elementary steps in the in situ formation of active iron carbide phases. Here, density functional theory (DFT) calculations systematically investigate the atomistic structures, thermodynamic stabilities, and electronic properties of carbon-deposited Fe-Mn alloy surfaces at the early stage of carburization. These surfaces exhibit distinct thermodynamic sensitivity to carbon atoms adsorbed on the surface and permeating into interstitial sites. By combining DFT with minima-hopping structural searches, we demonstrate that the initial stage of carbon permeation cannot trigger surface reconstruction to form iron carbide phases. The addition of manganese thermodynamically hinders carbon permeation. Although deposited carbon atoms modulate the electronic structure of metals, manganese retards the shift of d-band centers toward those of bulk iron carbide phases. This study provides atomic-scale insight into the in situ evolution of Fe-Mn catalyst surfaces during carbon deposition, indicating that manganese promoter has a noticeable effect on carbon permeation.

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Manganese Promoter Hinders Carbon Permeation on Iron-Based Catalyst Surfaces: A First-Principles Study

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60677-9• Jan 15, 2026

Tuning surface oxygen species via Mg-Ba co-doping on La2O3 to enhance oxidative coupling of methane performance

Authors: WANG Ke, ZHANG Qi, NIU Pengyu, LIN Minggui, JIA Litao, LI Debao, ZHANG Riguang

Mg-, Ca-, Sr-, and Ba-single-doped La2O3 as well as Mg-Ba co-doped La2O3 catalysts were synthesized via a hydrothermal method and evaluated for the oxidative coupling of methane (OCM). The experimental results revealed that the Mg-modified La2O3 catalyst activates O2 and CH4 effectively, yet achieves only moderate C2+ selectivity. Conversely, the Ba-modified analogue affords high C2+ selectivity, albeit at the expense of lower reaction activity. Notably, the Mg-Ba co-doped La2O3 catalyst strikes an effective balance between activity and selectivity, enhancing catalytic performance while maintaining a high C2+ selectivity. Specifically, at a Mg/Ba molar ratio of 1:1 and 700 °C, it achieved a CH4 conversion of 29.5%, a C2+ selectivity of 54.5% and a corresponding C2+ yield of 16.1%. The characterization results indicate that Mg and Ba co-doped La2O3 catalysts promote the formation of more superoxide (O2−) species on the catalyst surface, which in turn significantly enhances both the activity and selectivity of La2O3 catalysts. In situ DRIFTS revealed the presence of superoxide species on the surface of both Mg- and Ba-doped catalysts, with the co-doped system exhibiting a significantly more intense signal for the superoxide species. O2/H2-TPR studies revealed that Mg and Ba co-doped La2O3 catalysts exhibit superior O2 activation capabilities compared to those doped with Mg or Ba alone. CH4/O2 pulse experiments revealed that the co-doped catalysts facilitate faster establishment of oxygen adsorption equilibrium, thereby enhancing CH4 activation and the subsequent formation of C2 products. This work establishes that co-doping La2O3 with Mg and Ba represents an effective strategy for improving catalytic performance in OCM, primarily by modulating the generation and stabilization of key active oxygen species.

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Tuning surface oxygen species via Mg-Ba co-doping on La2O3 to enhance oxidative coupling of methane performance

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60752-9• Jan 15, 2026

Mechanistic Insights into Methanol Steam Reforming on PdCu(111) and PtCu(111) Bimetallic Catalysts

Authors: WANG Ruiying, GAO Fene, GUO Junlan, ZHANG Xi, LU Sitian, LIU Yanan, JIA Jianfeng

Methanol steam reforming (MSR) is a pivotal process for efficient hydrogen production. This study employs density functional theory (DFT) calculations to comparatively analyze the MSR reaction mechanism on PdCu(111) and PtCu(111) bimetallic surfaces. The investigation unveils how alloying modulates reaction pathways and overall catalytic performance. Notably, Cu sites stabilize adsorption of OH and CH2O species, whereas Pd/Pt sites exhibit preferential affinity for CO. This spatial site separation facilitates progression along the formate pathway. PdCu(111) demonstrates superior overall catalytic performance compared to PtCu(111), with water dissociation identified as the rate-determining step (RDS), featuring an activation energy of only 0.74 eV. The bimetallic synergy breaks the inherent contradiction between activity and selectivity of monometallic catalysts: Cu sites serve as a source of hydroxyl groups, while Pd/Pt sites enhance C–H bond cleavage efficiency, ultimately enabling high methanol conversion alongside low CO formation. From the perspectives of electronic structure and geometric configuration, this study establishes a theoretical framework to guide rational design of high-performance bimetallic catalysts for MSR.

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Mechanistic Insights into Methanol Steam Reforming on PdCu(111) and PtCu(111) Bimetallic Catalysts

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60672-X• Jan 15, 2026

Mechanism of Ce/La/Zr doping on the structure and anti-coking performance of Ni/MgO-MgAl2O4 catalyst

Authors: ZHANG Guopei, WANG Cong, ZHANG Xiaoyang, LI Zhaomin

Dry reforming of methane (DRM) converts CH4 and CO2 into syngas, offering a route to mitigate greenhouse gases. Ni-based catalysts suffer from sintering and carbon deposition at high temperatures. This work employs MgO-MgAl2O4 composite supports to regulate Ni loading and introduces Ce, La, and Zr as promoters to investigate their effects on DRM activity, structural stability, and surface oxygen species. Optimal Ni loading of 12.5% yields highest CH4 and CO2 conversions. Promoter introduction slightly suppresses low-temperature activity but substantially modifies support local structure and metal-support interface, improving NiO dispersion and increasing surface oxygen vacancies and active oxygen species (Oβ). These changes enhance CO2 adsorption-activation and suppress carbon deposition. After 20 h DRM, Ce-promoted catalyst shows smallest Ni particle growth (6.23→8.07 nm) and lowest carbon deposition, demonstrating superior stability and anti-coking capability. The study elucidates how Ce, La, and Zr enhance sintering and coking resistance via interfacial electronic modulation and improved oxygen storage/release, guiding rational design of stable Ni-based DRM catalysts.

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Mechanism of Ce/La/Zr doping on the structure and anti-coking performance of Ni/MgO-MgAl2O4 catalyst

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60743-8• Jan 15, 2026

A dataset for CO2 cycloaddition with ethylene oxide over metal oxide catalysts

Authors: XI Jianying, WANG Baojun, ZHANG Riguang

Metal oxide catalysts have emerged as promising materials for CO2 cycloaddition reactions due to their tunable composition, facile separation, reusability, and low cost. However, systematic investigations remain limited, and a comprehensive understanding of reaction mechanisms is hindered by the lack of extensive, well-curated datasets. This study establishes a systematic dataset of 102 metal oxide catalysts, including layered double hydroxide (LDH) and ZnO, with variations in metal dopant type and ratio, defect characteristics, and crystal plane orientation. Using high-throughput first-principles calculations, we generated a multi-dimensional dataset containing elementary reaction energies, vibrational frequencies, Bader charges, and density of states. A rigorous two-tiered quality control protocol ensures data integrity. The dataset reveals structure-performance relationships linking catalyst structural features to electronic descriptors (e.g., Bader charge transfer, p-band centers of O atoms, d-band centers of metal atoms) and catalytic activity. This work provides a reliable foundation for exploring catalytic performance and reaction mechanisms, and demonstrates how high-throughput calculations can generate domain-specific, mechanistically explicit data. Future efforts will focus on developing feature extraction code for seamless integration with machine learning frameworks, and the dataset will be continuously enriched through experimental validation and remain openly accessible.

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A dataset for CO2 cycloaddition with ethylene oxide over metal oxide catalysts

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60710-4• Jan 15, 2026

Reaction Network Database for Fast Pyrolysis of Vanillyl Alcohol Based on Molecular Wavefunction Descriptors

Authors: SHI Jingyuan, LI Chenchen, CHENG Xiaoxue, LING Qifan, MU Mao, WANG Shuang, JIANG Ding

Lignin pyrolysis is a promising route for sustainable production of high-value phenolic chemicals, yet the intricate radical reaction network remains a major bottleneck to optimizing product selectivity. This work constructs a standardized DFT computational database that systematically describes the fast pyrolysis of vanillyl alcohol at 823.15 K. The database features three key components: primary reaction pathways, thermodynamic energy barriers, and atomic-level electronic fingerprints. The dataset covers primary reaction pathways, secondary rearrangements, and both global and local reactivity indices of key intermediates. Notably, it innovatively integrates electronic-structure fingerprints, filling the gap in reaction-network–electronic-property correlation data. Standardized computational workflows and rigorous quality control ensure accuracy, consistency, and reproducibility. The public release of this dataset provides a reliable theoretical benchmark for mechanistic studies of lignin pyrolysis and offers foundational data support for rational design of new catalysts and refinement of reaction kinetic models. Ultimately, this database not only provides an important reference for data-driven catalyst development but also lays a theoretical foundation for precise regulation of lignin depolymerization.

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Reaction Network Database for Fast Pyrolysis of Vanillyl Alcohol Based on Molecular Wavefunction Descriptors

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60658-5• Jan 15, 2026

Effect of Mn doping on the structure and oxidative desulfurization properties of Co-V-O binary metal oxides

Authors: DONG Zhehan, WANG Hongli, LI Xiuping, ZHAO Rongxiang

Sulfur dioxide emitted from combustion of sulfur-containing aromatic compounds in fuels is a major contributor to atmospheric pollution. Oxidative desulfurization (ODS) has become a crucial complement to hydrodesulfurization (HDS) due to its mild reaction conditions and high efficiency in removing refractory aromatic sulfides. Metal doping is an effective strategy to modulate the electronic structure of catalysts and enhance catalytic performance. In this study, Mn-doped Co-V-O metal oxide (Mn-Co-V-O) was synthesized via a reflux method followed by high-temperature calcination. The structure, morphology, and surface chemical composition were characterized by FT-IR, XRD, SEM, XPS, and UV-vis DRS. The ODS performance toward dibenzothiophene (DBT) was evaluated using molecular oxygen as a green oxidant. Results indicated that Mn doping significantly enhanced the ODS activity compared to undoped Co-V-O. Under optimized conditions (110 °C, 0.03 g catalyst, 150 mL/min O2 flow, 20 mL model oil), a direct DBT removal rate of 81.6% was achieved. When combined with extraction, the desulfurization rate increased to 98.0%. Mechanistic studies revealed that Mn doping increased the surface oxygen vacancy concentration, facilitating oxygen activation to generate superoxide radicals (·O2−). Radical trapping experiments confirmed that ·O2− was the key active species responsible for selective oxidation of DBT to DBTO2. This study provides a reference for designing efficient metal oxide catalysts for deep oxidative desulfurization.

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Effect of Mn doping on the structure and oxidative desulfurization properties of Co-V-O binary metal oxides

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.3724/2097-213X.2026.JFCT.0003• Jan 15, 2026

Effect of Phosphorus and Transition Metal-Modified ZSM-5 on Catalytic Pyrolysis of C7 Hydrocarbons with Different Structures

Authors: HOU Kaijun, LIU Meijia, WANG Zhifeng, CAI Jinjun, GUO Rong, GAO Jinsen, WANG Gang, MA An

Phosphorus and transition metal-modified ZSM-5 zeolites were prepared via incipient wetness impregnation and characterized by XRD, N2 adsorption-desorption, and pyridine-IR spectroscopy. The effects of modified zeolites on catalytic pyrolysis of n-heptane, 3-methylhexane, and methylcyclohexane were systematically investigated, revealing the structure-activity relationship between acid properties and catalytic performance. Results indicate that phosphorus and transition metal modification can regulate the L/B acid ratio of ZSM-5, which significantly influences product distribution. An excessively high L/B acid ratio promotes hydrogen and coke formation, leading to pore blockage and reduced conversion, whereas an appropriate L/B acid ratio facilitates mild dehydrogenation, enhancing ethylene and propylene yields. Reactant conversion followed the order: n-heptane > 3-methylhexane > methylcyclohexane. Efficient conversion of 3-methylhexane and methylcyclohexane requires catalysts with high L acid amount, strong Brønsted acid amount, optimized L/B acid ratio, as well as high specific surface area and micropore specific surface area. This study provides critical insights for designing high-efficiency alkane pyrolysis catalysts.

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Effect of Phosphorus and Transition Metal-Modified ZSM-5 on Catalytic Pyrolysis of C7 Hydrocarbons with Different Structures

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60762-1• Jan 15, 2026

Binder-Mediated Regulation of Coating Structure over Monolithic Catalyst and Its Performance in CH4-CO2 Reforming

Authors: LIU Junyang, LIU Yupeng, XUE Rulin, LIU Lingji, ZHANG Chaoyang, LI Feng, LI Guoqiang, GENG Xiangdong, LI Lei, WANG Changzhen

The CO2 dry reforming of methane (DRM) is pivotal for CO2 utilization within the dual-carbon framework, offering advantages in carbon reduction and value-added chemical production. However, shaped catalysts suitable for industrial-scale DRM remain limited. This work constructs a monolithic catalyst using honeycomb cordierite as the structural support, systematically investigating the effects of organic and inorganic binders on coating structure and catalytic performance. Comparative studies reveal that the active coating fabricated with inorganic aluminum sol exhibits a continuous uniform morphology and excellent adhesion strength. During high-temperature calcination, elemental diffusion within Al2O3 networks bridges the cordierite surface with active catalyst particles, forming a (Ni-Mg)AlxO4 composite structure. This creates robust metal-support interactions between active sites and the residual alumina matrix. The interconnected mesoporous framework provides superior pore confinement, contributing to strong coating adhesion, enhanced activity, and improved resistance to carbon deposition in the monolithic m-NCM-Al-sol catalyst. In contrast, coatings derived from inorganic silica sol suffer from detachment and activity loss due to heterogeneous surface structures and poor adhesion. Organic binders demonstrate inferior performance in macroscopic coating uniformity, adhesion strength, mesoporous confinement, and localized electronic effects, resulting in the poorest catalytic performance. By optimizing aluminum sol coating parameters—binder content, active component dosage, and coating cycles—a synergistic balance between coating thickness and mass transfer is achieved. The optimized catalyst demonstrates excellent DRM performance, providing insights for constructing high-performance shaped catalysts with cordierite coatings.

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Binder-Mediated Regulation of Coating Structure over Monolithic Catalyst and Its Performance in CH4-CO2 Reforming

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60688-3• Jan 15, 2026

A Comprehensive Database for Ethane Dehydrogenation over Heteroatom-Doped Graphene-Supported Single-Atom Catalysts

Authors: CAO Yajie, WANG Baojun, ZHANG Riguang

Single-atom catalysts (SACs) exhibit near-100% atomic utilization, precisely tunable active sites, and superior catalytic performance, making them promising for ethane dehydrogenation (EDH). The nature of active metals, support properties, and coordination environments critically influence EDH performance. Graphene, with its excellent thermal stability and tunable coordination structure, serves as an ideal support. However, systematic understanding is lacking due to fragmented data. This work constructs a comprehensive database of heteroatom-doped graphene-supported SACs, encompassing five representative metal single atoms and 51 distinct coordination environments grouped into six major categories. High-throughput first-principles calculations yield multi-dimensional data including elementary reaction energies, vibrational frequencies, density of states, and Bader charges. A rigorous quality control system ensures reliability at both parameter-setting and computational result levels. The database provides complete raw calculation files, enabling in-depth analysis of catalytic performance, structure-performance relationships, and reaction mechanisms. Electronic structure analyses (DOS and Bader charge) elucidate the physical mechanisms underlying performance differences, establishing a structure-performance relationship characterized by 'dopant type → electronic state of active metal center → catalytic activity'. This database supports rational catalyst design and data-driven research paradigms, with future plans for feature extraction code and experimental validation.

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A Comprehensive Database for Ethane Dehydrogenation over Heteroatom-Doped Graphene-Supported Single-Atom Catalysts

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60670-6• Jan 15, 2026

Na Promoter Synergistic Tuning Co-Fe Alloy-Carbide Dual Sites: Directing Syngas Conversion to C2+ Alcohols

Authors: ZHANG Hengxuan, SUN Yan, SUN Qiwen, WU Jianmin

Direct conversion of syngas to higher alcohols (C2+ alcohols) is critical for coal-based resource utilization and energy security. Here, a series of Na-modified CoFe/Al2O3 catalysts were synthesized via incipient wetness impregnation and evaluated for syngas-to-alcohol reactions. Multiple characterizations (XRD, N2 adsorption-desorption, H2-TPR, XPS, DRIFTS, in situ Raman, Mössbauer spectroscopy) elucidated synergistic effects of Na and Fe promoters. Na facilitated formation of Co-Fe alloy sites during reaction, while Fe modified electronic state of Co and promoted transformation of lattice oxygen to adsorbed oxygen, increasing surface oxygen vacancies. Synergistic interaction between alloy and carbide sites enhanced CO insertion into olefin intermediates, improving C2+ alcohol selectivity. Under 260 °C and 2 MPa, Co1Fe1Na1 catalyst (n(Co):n(Fe):n(Na)=1:1:1) achieved total alcohol selectivity of 45%, with C2+ alcohols comprising 94.1% of total alcohols. This study provides insights into rational design of Co-based catalysts for efficient syngas conversion to C2+ alcohols.

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Na Promoter Synergistic Tuning Co-Fe Alloy-Carbide Dual Sites: Directing Syngas Conversion to C2+ Alcohols

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60748-7• Jan 15, 2026

Collection, Processing, and Sharing of a Dataset for the Selective Hydrogenation of Benzene to Cyclohexene

Authors: SUN Chao, ZHANG Bin

Cyclohexene is a crucial raw material for nylon production, and the selective hydrogenation of benzene is a key route for its preparation. To promote data sharing and reuse in this field, we collected and standardized experimental data on the hydrogenation of benzene to cyclohexene from publicly available literature, constructing a comprehensive dataset containing catalyst composition, reaction conditions, and reaction results (conversion, selectivity, and yield). This data descriptor details the source, field definitions, generation and processing workflow, quality control, sharing approach, and usage recommendations of the dataset, aiming to provide a reusable data foundation for subsequent statistical analysis, machine learning modeling, experimental design, and catalyst screening. The dataset is provided in Excel format and is accessible via GitHub and ScienceDB. It addresses the lack of unified field definitions, unit systems, and organizational formats in scattered literature data, enabling direct statistical analysis, correlation mining, and predictive modeling. The dataset is expected to accelerate research in optimizing ruthenium-based catalytic systems for selective benzene hydrogenation, which currently suffer from limited cyclohexene yield despite the use of aqueous-phase systems and inorganic salt additives. By offering a quality-controlled, structured dataset, this work supports data-driven approaches to overcome the thermodynamic favorability of complete hydrogenation to cyclohexane and to improve process economics.

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Collection, Processing, and Sharing of a Dataset for the Selective Hydrogenation of Benzene to Cyclohexene

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60674-3• Jan 15, 2026

A Dataset of Conducting Polymers Synthesized by Electropolymerization for Electrochemical Energy Storage in Aqueous Electrolytes

Authors: ZHU Bo, LU Xinyu, WANG Chao

Conducting polymers are promising electrode materials for aqueous ion batteries and supercapacitors due to their high conductivity, environmental friendliness, and flexibility. Electropolymerization enables controlled deposition of these polymers onto conductive substrates, tuning loading, morphology, and structure. This dataset systematically compares the electrochemical energy storage performance of conducting polymers derived from monomers including 1,10-phenanthroline, 5-amino-2-naphthalenesulfonic acid, o-aminophenol, 1,5-diaminonapthalene, s-triazine, and aromatic molecules with multiple carbonyl and imino groups. Aqueous electrolytes investigated include sulfuric acid, zinc sulfate, ammonium sulfate, potassium hydroxide, and zinc trifluoromethanesulfonate solutions. Galvanostatic charge-discharge at various mass-normalized current densities was employed to evaluate specific capacities. The dataset comprises 266 MB across 490 files, providing key parameters such as specific capacity, rate capability, and cycling stability. Analysis of this data enables inference on the influence of polymer structure and electrolyte composition on charge storage. This resource serves as a reference for the rational design of high-performance conducting polymer electrodes for aqueous energy storage devices.

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A Dataset of Conducting Polymers Synthesized by Electropolymerization for Electrochemical Energy Storage in Aqueous Electrolytes

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Original ResearchVol. 54, Issue 7 • pp. 100-112DOI: 10.1016/S1872-5813(26)60693-7• Jan 15, 2026

A dataset for electrocatalytic hydrogen evolution reaction performance of non-noble transition metal phosphides

Authors: ZHU Teng, WANG Huanhuan, LI Yuming

This dataset compiles the hydrogen evolution reaction (HER) performance data of 203 non-noble transition metal phosphide (TMP) catalysts, covering detailed information on catalyst preparation (e.g., phosphating temperature, precursor, synthesis method), chemical composition (mass fractions of elements such as Ni, Co, Fe, P, Mo, W and Zn), and testing conditions (e.g., electrolyte type and concentration, electrode substrate). The key parameters for catalytic performance include the overpotential at 10 mA/cm2 (η10) and the Tafel slope. This dataset has been rigorously extracted, cleaned, and standardized to ensure a high degree of structure and machine readability. This provides a reliable data foundation for data-driven methods, such as machine learning and statistical modeling, enabling rapid screening and design of high-performance HER catalysts, supporting performance prediction, in-depth structure-activity analysis and the rational development of novel catalysts.

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A dataset for electrocatalytic hydrogen evolution reaction performance of non-noble transition metal phosphides

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60692-5• Jan 15, 2026

Clean and Green: Harnessing Long Persistent Luminescence for Advanced Catalysis

Authors: HUANG Haiyan, YANG Yarong, ZHAO Zhuoya, LIU Dingyi, WANG Xuan, WU Shuqi, QIN Yong, MIAO Jiaojiao

Long persistent luminescence materials (LPLMs) have demonstrated significant potential in photo- and electro-catalysis due to their unique capability of storing and controllably releasing photogenerated charge carriers. These materials offer innovative solutions for environmental remediation and sustainable energy technologies. This review systematically summarizes recent advances in the application of LPLs in photo- and electro-catalysis, outlining their developmental history and underlying mechanisms. Emphasis is placed on their applications in organic pollutant degradation, photocatalytic hydrogen evolution, and photovoltaic cells. Furthermore, design strategies and research frameworks for LPLs are discussed. The current limitations and challenges in this field are examined, and future research directions are proposed to facilitate the transition of LPLMs from fundamental research to practical applications in energy and the environment. Key materials such as SrAl2O4:Eu2+,Dy3+ exhibit afterglow lasting up to 30 hours, enabling round-the-clock catalytic activity. Composite systems like g-C3N4@Au@SrAl2O4:Eu2+,Dy3+ and Cu|CuO/SrAl2O4:Eu2+,Dy3+ have achieved efficient degradation and simultaneous hydrogen evolution. Z-scheme heterojunctions, e.g., Sr2MgSi2O7:Eu2+,Dy3+/Ag3PO4, demonstrate enhanced performance. The review highlights the potential of LPLMs to overcome the limitation of intermittent light sources, providing a pathway for continuous catalytic processes.

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Clean and Green: Harnessing Long Persistent Luminescence for Advanced Catalysis

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60684-6• Jan 15, 2026

Crystal Facet Effect of WO3 in Heterogeneous Catalysis: A Review

Authors: ZHANG Miao, WANG Huixiang, LI Huipeng, ZHANG Deshun, XU Jingwen, REN Duojia, ZHANG Wei, XUE Shoufeng, LÜ Baoliang

Tungsten trioxide (WO3) is a transition metal oxide of significant interest in heterogeneous catalysis due to its environmental friendliness, cost-effectiveness, and favorable electrical properties. The catalytic performance of WO3 is strongly dependent on its exposed crystal facets, which exhibit distinct physicochemical properties including charge separation efficiency, reactant adsorption capacity, and redox activity. These differences arise from variations in atomic arrangement, electronic structure, and surface energy. This review systematically examines the facet effect of WO3 across photocatalysis, electrocatalysis, photoelectrocatalysis, and thermal catalysis. Theoretical calculations are integrated to elucidate the intrinsic mechanisms underlying facet-dependent behavior from an atomic structure perspective. The paper synthesizes general rules governing the WO3 facet effect across these applications, critically assesses current research limitations, and outlines future directions. Key findings highlight that facet engineering enables precise tuning of catalytic activity and selectivity, with specific facets such as {001}, {110}, and {010} demonstrating enhanced performance in various reactions. The review underscores the importance of morphology control in optimizing WO3-based catalysts and identifies challenges in achieving facet-selective synthesis and stability under operational conditions. Future research should focus on advanced characterization techniques and computational modeling to further unravel facet-dependent mechanisms and guide rational catalyst design.

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Crystal Facet Effect of WO3 in Heterogeneous Catalysis: A Review

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60666-4• Jan 15, 2026

Research Progress on Cobalt-Based Catalysts for the Hydrogenation of Carbon Dioxide to Ethanol

Authors: BIAN Linghui, WANG Jing, DING Chenyu, SUN Wenjing, WANG Ning

The catalytic hydrogenation of CO2 to ethanol is a pivotal technology for carbon neutrality and high-value chemical production. Cobalt-based catalysts, with their unique electronic structure and tunability, are promising for this reaction, yet challenges persist: low single-pass CO2 conversion, ethanol selectivity below 60%, and rapid deactivation. This review systematically analyzes recent progress, establishing the thermodynamic and kinetic framework, and dissecting molecular-level mechanisms, particularly C–C bond formation and controlled oxygen removal. It critically evaluates synergistic effects among metallic Co, Co2C, CoOx, and bimetallic configurations, emphasizing structure-activity relationships influenced by supports and promoters. Inverse catalysts and tandem systems are reviewed, along with water's role as a hydrogen source. The review identifies shortcomings and advocates for advanced in situ/operational characterization and theoretical modeling to guide next-generation catalyst design. Key findings from cited studies include: Co/La4Ga2O9 achieving high selectivity (reference [85]); K-loaded Cu/CoOx boosting ethanol production (reference [86]); Ga-promoted CuCo catalysts with Cu-CoGaOx interfacial sites (reference [88]); and Mo-tailored CoFe alloys suppressing over-carburization (reference [89]). These insights provide a framework for developing efficient cobalt-based systems, deepening mechanistic understanding, and accelerating sustainable ethanol production.

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Research Progress on Cobalt-Based Catalysts for the Hydrogenation of Carbon Dioxide to Ethanol

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60721-9• Jan 15, 2026

A Review of Methane Photocatalytic Systems

Authors: WANG Yingxiao, CHEN Pengyu, HAO Yingdong, WEI Wei, SUN Nannan

Methane (CH4), the primary component of natural gas, is an ideal feedstock for producing high-value chemicals and clean fuels due to its high hydrogen-to-carbon ratio. However, its chemical inertness poses significant challenges, and traditional thermal catalytic reforming processes suffer from long reaction pathways and high energy consumption. Photocatalytic technology enables highly selective CH4 conversion under mild conditions, even at room temperature, offering environmental and economic benefits. This review systematically summarizes recent advances in room-temperature photocatalytic systems for direct CH4 conversion. It begins by elucidating the mechanisms, product distributions, and inherent challenges of four key reaction pathways: partial oxidation, non-oxidative coupling, oxidative coupling, and oxidative carbonylation. The discussion then addresses the critical role of catalyst architecture, focusing on semiconductor supports, metal site modulation, and advanced porous frameworks. Furthermore, reactor design and process intensification strategies are examined, including batch and continuous-flow reactors, novel structured reactors, and photo-electro and photo-thermo synergistic approaches. Finally, reaction mechanisms are summarized. Despite progress, challenges remain in fundamental understanding, performance evaluation, and technological integration. Future efforts should focus on mechanistic studies, standardization of evaluation protocols, development of non-noble metal catalysts, system optimization, and comprehensive sustainability assessments.

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A Review of Methane Photocatalytic Systems

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60671-8• Jan 15, 2026

Catalytic conversion of CO2-rich syngas to high-quality gasoline hydrocarbons over In2O3-ZrO2/SAPO-11 catalysts

Authors: ZHOU Tingting, LI Xueli, ZHANG Gang, YAO Jingang, YI Weiming

The conversion of CO2 into gasoline-range hydrocarbons represents a sustainable pathway to achieve deep decarbonization in the transportation sector. Nevertheless, the traditional Fischer-Tropsch synthesis (FTS) suffers from a broad product distribution, which restricts the achievable selectivity toward C5−C11 gasoline-range hydrocarbons to roughly 45%. This study presents the development of a bifunctional catalyst that integrates In2O3/ZrO2 metal oxides with SAPO-11 molecular sieves, aiming at efficiently converting CO2/CO mixtures into C5−C11 gasoline hydrocarbons. Catalysts with varying In/Zr ratios were prepared via co-precipitation. By employing a COx (CO/CO2) co-feeding strategy (CO/COx = 0.5), the formation of by-product CO was significantly suppressed, thereby enabling the selectivity for gasoline hydrocarbons to exceed the maximum predicted by the Anderson-Schulz-Flory (ASF) model. Notably, under identical reaction conditions, the In2Zr1Ox/SAPO-11 catalyst exhibited higher performance compared with In2O3/SAPO-11 and ZrO2/SAPO-11. The COx conversion was elevated by 1.7% and 0.2%, while the selectivity toward C5–C11 hydrocarbons was enhanced by 8.0% and 16.0%, respectively. Furthermore, the In2Zr1Ox/SAPO-11 catalyst delivered a single-pass performance of 24% COx conversion and 68% selectivity for C5−C11 hydrocarbons at 380 °C, 3 MPa and a gas hourly space velocity (GHSV) of 2400 mL/(min·g). Within this product distribution, isoparaffins accounted for 32.6% of the total components, corresponding to an isoparaffin/neoparaffin ratio of 12.3. After 150 h of stability testing, the catalyst maintained a single-pass COx conversion of 23% and a C5−C11 selectivity of ~65%, demonstrating excellent catalytic activity and promising potential for industrial application.

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Catalytic conversion of CO2-rich syngas to high-quality gasoline hydrocarbons over In2O3-ZrO2/SAPO-11 catalysts

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60664-0• Jan 15, 2026

Switching Hydrogenation Pathways of Furfural via Reduction-Degree Engineering of Ni-Based Catalysts

Authors: CHANG Xiaoqing, JIA Lingyu, DANG Shanshan, LU Tianliang, WANG Peng, TU Weifeng, ZHANG Zhenzhou

The selective hydrogenation of biomass-derived furfural (FAL) to high-value chemicals such as furfuryl alcohol (FOL) or tetrahydrofurfuryl alcohol (HFOL) is pivotal yet challenging due to the need for precise control over reaction pathways. In this study, a Ni2Al-LDO (layered double oxide) catalyst with highly dispersed surface NiO was synthesized via structural topological transformation of layered double hydroxides. The catalyst exhibited excellent performance in furfural hydrogenation, achieving a 91.42% yield of FOL at 160 °C and 1.4 MPa H2. Gradual reduction of Ni2Al-LDO produced Ni/NiO mixtures, enabling a tunable shift from FOL to HFOL as NiO content decreased and metallic Ni content increased. After reduction at 700 °C for 2 hours, the HFOL yield reached 93.95% under identical conditions. CO2-TPD, NH3-TPD, and FT-IR analyses revealed that variations in reduction degree influenced furfural adsorption behavior. NiO species selectively adsorb the C=O group of furfural, with isopropanol serving as the hydrogen source via the Meerwein-Ponndorf-Verley (MPV) pathway, yielding FOL. In contrast, metallic Ni0 surfaces facilitate flat adsorption, enabling simultaneous activation of both the furan ring and carbonyl group, and can activate both H2 and isopropanol, with H2 as the primary hydrogen source, leading to complete hydrogenation to HFOL. This work elucidates a clear structure-activity relationship centered on the metal oxidation state and provides a practical reduction-engineering approach for designing adaptable catalysts in biomass upgrading.

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Switching Hydrogenation Pathways of Furfural via Reduction-Degree Engineering of Ni-Based Catalysts

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60662-7• Jan 15, 2026

Mechanistic Insights into Low-Temperature CO2 Methanation over LaNiO3/CeO2 Perovskite Catalyst

Authors: LIU Ji, ZHANG Xuguang, LIU Mengfan, ZHOU Zhi, LI Wentao, HU Bin, ZHANG Zhenxi, LU Qiang

Perovskite-type catalysts show promise for CO2 methanation, yet their low-temperature performance and mechanisms remain unclear. Here, a LaNiO3/CeO2 catalyst was synthesized via sol-gel and impregnation. In situ reduction decomposed the perovskite into highly dispersed Ni0 particles (average 12.6 nm) on CeO2, which provided abundant oxygen vacancies (Ce3+/(Ce3++Ce4+) = 9.2%) and weak/moderate basic sites. This synergy enhanced CO2 adsorption and activation. At 200–300 °C, the catalyst achieved ~100% CH4 selectivity and CO2 conversion up to 23.6% at 300 °C. Comparative studies with LaNiO3, LaCeNiO4, Ni/CeO2, and La-Ni/CeO2 revealed that the perovskite pre-structuration and in situ reduction optimize Ni dispersion and metal-support interactions, stabilizing Ni0 and tuning surface basicity and oxygen vacancies. This work provides a design strategy for efficient low-temperature CO2 methanation catalysts.

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Mechanistic Insights into Low-Temperature CO2 Methanation over LaNiO3/CeO2 Perovskite Catalyst

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60667-6• Jan 15, 2026

Enhancement of ZnO-ZrO2 Solid Solution Catalyst via Cu Addition for CO2 Hydrogenation to Methanol

Authors: LI Ying, XIE Guiming, MENG Xinyue, PENG Bo, WANG Zhoujun

The introduction of an appropriate amount of Cu effectively enhances the catalytic performance of ZnO-ZrO2 solid solution catalysts in CO2 hydrogenation to methanol. However, systematic studies on the effect of Cu content in ZnO-ZrO2 solid solution catalysts remain limited. In this work, a ZnO-ZrO2 solid solution and a series of Cu/ZnO/ZrO2-x catalysts (x = 0.3, 0.7 and 0.9, denoting the molar ratio of Cu/(Cu+Zn+Zr)) were prepared by co-precipitation method. Among these catalysts, the Cu/ZnO/ZrO2-0.7 catalyst exhibited the optimal catalytic performance, with a space-time yield of methanol (162.7 g/(kg·h)) that was 6.6 times higher than that of the ZnO-ZrO2 solid solution catalyst (24.8 g/(kg·h)) at 250 °C. Structural characterizations reveal that the introduction of an appropriate amount of Cu led to the coexistence of a solid solution and individual metal oxides, and promoted the formation of medium-strength basic sites. In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) results further confirm that Cu introduction facilitated the conversion of key reaction intermediates. This work provides a systematic investigation of the influence of Cu content on the methanol synthesis performance of ZnO-ZrO2 solid solution catalysts and elucidates the promotional mechanism induced by Cu incorporation.

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Enhancement of ZnO-ZrO2 Solid Solution Catalyst via Cu Addition for CO2 Hydrogenation to Methanol

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60685-8• Jan 15, 2026

Advances in Heterogeneous Catalysis for Hydrogen Production via Steam Reforming of Biomass-Derived Alcohols: Catalytic Structure-Activity Relationships from Ethanol to Glycerol Systems

Authors: LIU Siyu, XIE Hui, LIAO Wenmin, WANG Shuai

Steam reforming of biomass-derived alcohols (ethanol, ethylene glycol, glycerol, etc.) represents a critical pathway for sustainable hydrogen energy systems. This review systematically examines recent advances in heterogeneous catalysis, elucidating structure-performance correlations between alcohol molecular structures and catalyst requirements. Ethanol is prone to dehydration and methanation side reactions, while ethylene glycol leverages its dihydroxy structure to enhance dehydrogenation and C–C cleavage, improving H2 selectivity. In contrast, glycerol suffers from intensified reaction network complexity and carbon-induced deactivation due to its trihydroxy configuration. The unified catalyst design strategy involves precisely modulating metal electronic structures (e.g., alloying/atomic-level dispersion) and support oxygen mobility (e.g., rare-earth modification) to synergistically optimize dehydrogenation and carbon resistance. Ni-based catalysts dominate owing to low cost and high C–C bond activation capability, yet their stability requires synergistic enhancement via alloying (Fe, Co, Cu, etc.) or rare-earth modification (Ce, Pr, La, etc.). Noble metal systems (Pt, Rh, Ir, etc.) exhibit low-temperature activity advantages, but are transitioning strategically toward single-atom catalysis and high-entropy-oxide-based multicomponent architectures under cost constraints. Future efforts are suggested to integrate in situ/operando characterization with theoretical modeling to uncover dynamic structure-activity relationships, establish elementary reaction databases for data-driven rational catalyst design, and achieve cross-scale catalyst-reactor synergy, thereby providing a scientific foundation for efficient sustainable hydrogen production.

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Advances in Heterogeneous Catalysis for Hydrogen Production via Steam Reforming of Biomass-Derived Alcohols: Catalytic Structure-Activity Relationships from Ethanol to Glycerol Systems

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60708-6• Jan 15, 2026

Control Strategy for Mercury Emissions from Coal-Fired Flue Gas in China

Authors: XIAO Rihong, LUO Changxin, WU Yuzi, TANG Chengrui, XIONG Zhuo, ZHANG Junying, ZHAO Yongchun

Mercury emissions from coal combustion are highly toxic, volatile, and bioaccumulative, posing long-term threats to ecosystems and human health. This review systematically examines the current status and control policies of mercury emissions from coal combustion in China, analyzing distribution characteristics and transformation mechanisms during combustion, with emphasis on collaborative removal in pollution control devices after ultra-low emission retrofitting. A progressive strategy of 'synergistic enhancement–deep purification–resource recycling' is proposed, comprising three tiers: optimizing operational parameters of existing control systems to enhance synergistic mercury removal; developing efficient adsorption and catalytic oxidation technologies for industrial application; and advancing integrated mercury removal and recovery technologies, such as magnetosphere-based sorbents and recovery processes, focusing on high-value utilization. The paper also outlines future research directions aligned with international compliance and domestic environmental tax policies, providing theoretical and technical support for China's commitments to near-zero emissions of coal combustion pollutants.

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Control Strategy for Mercury Emissions from Coal-Fired Flue Gas in China

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60681-0• Jan 15, 2026

Research Progress on Hydrogen and Carbon Materials Production from Methane Pyrolysis

Authors: ZHOU Luyuan, WANG Yang, SUN Yu, HUO Kaixuan, DONG Pei, WU Mingbo

The escalation of global warming and climate change necessitates the development of clean energy carriers. Hydrogen, with a high combustion value of 120 MJ/kg and net-zero carbon emissions, is a promising alternative. Catalytic methane pyrolysis offers a route to produce high-purity hydrogen and functional carbon materials simultaneously. However, challenges persist in catalyst deactivation due to carbon deposition and the efficient separation and valorization of carbon byproducts. This review systematically examines recent progress in solid and molten-medium catalysts for methane pyrolysis. It highlights strategies to enhance catalyst stability, including precise control of active sites, alloying, support optimization, and tuning the carbon-catalyst interface. The introduction of molten media catalytic systems, which feature dynamically refreshed gas-liquid interfaces, can fundamentally mitigate deactivation and facilitate continuous carbon separation. The paper discusses reaction mechanisms, catalytic performance, and control of carbon morphology, along with strategies for efficient separation and purification of carbon products in molten media. High-value applications of the produced carbon materials are also explored. The review underscores the potential of methane pyrolysis as a low-carbon technology for hydrogen production, while identifying key research directions for industrial scalability.

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Research Progress on Hydrogen and Carbon Materials Production from Methane Pyrolysis

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60690-1• Jan 15, 2026

Reaction mechanisms and cracking performance of CH4 provoked by non-equilibrium plasma

Authors: SUN Yiping, ZHAO Junning, ZHANG Yuanyuan, ZHANG Kai, ZHANG Dongke

Methane cracking driven by electric power holds significant promise in the context of the rapid development of renewable energy. The effects of carrier gas ratio, input power, and inlet gas flow rate on CH4 cracking performance were systematically investigated in a dielectric barrier discharge (DBD) reactor. The variation of temperature distribution and reaction energy intensity were also examined. The experimental results indicate that CH4 conversion and gaseous product formation are promoted by increasing the DBD input power or decreasing the inlet gas flow rate. At an input power of 90 W and an inlet gas flow rate of 200 mL/min, the single-pass CH4 conversion reaches 46.6%, with an H2 yield of 23.3%, demonstrating that CH4 cracking is governed by electron induced reactions. While the Joule heating from the inner and outer electrodes is relatively limited. The reaction energy intensity increases as the CH4 conversion decreases. When the inlet gas flow rate increases from 200 to 800 mL/min, the energy intensity rises by approximately 2.8 times, indicating that higher inlet gas flow rates enhance the convective heat transfer and shorten the gas residence time, thereby suppressing deep CH4 cracking. Moreover, BOLSIG+ calculations further reveal that CH4 activation is dominated by electron induced vibrational excitation, in which stepwise energy accumulation drives C–H bond dissociation. The energy transfer and species transformation pathways of overall CH4 cracking process, which comprises electron energy injection, vibrational excitation, stepwise dissociation, radical chain extension, and final product formation, can be summarized into three stages, i.e. methane activation, radical evolution, and product formation.

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Reaction mechanisms and cracking performance of CH4 provoked by non-equilibrium plasma

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60663-9• Jan 15, 2026

Calcination Atmosphere-Engineered Cu/SiO2 Catalysts for Efficient Hydrogenation of Dimethyl Succinate to 1,4-Butanediol

Authors: SHAO Xuhao, ZHANG Xuyan, CHEN Xiaorong, DU Jiaxin, AI Peipei, TAN Minghui, GAO Zhihua, HUANG Wei

The catalytic hydrogenation of biomass-derived dimethyl succinate (DMS) to 1,4-butanediol (BDO) is a pivotal route for producing high-value C4 chemicals in green chemistry. Cu/SiO2 catalysts are known for high selectivity in hydrogenating ester groups, with performance correlated to copper species microstructure. Although calcination critically defines this active structure, systematic influence of calcination atmosphere remains underexplored. Here, Cu/SiO2 catalysts were prepared via urea-assisted hydrothermal method and calcined under different atmospheres to elucidate effects on physicochemical properties and hydrogenation performance. Comprehensive characterization (N2 physisorption, FT-IR, H2-TPR, XRD, TEM, N2O pulse chemisorption, XPS, NH3-TPD) revealed that calcination atmosphere profoundly alters metal-support interaction, regulating dispersion and chemical state of copper species. Specifically, air calcination promoted stronger metal-support interaction, enhancing copper dispersion and increasing proportion of key active Cu+ species. Consequently, air-calcined catalyst achieved 92.37% DMS conversion and 64.15% BDO yield under optimized conditions (210 °C, 5.0 MPa, WHSV 0.6 h−1, H2/DMS molar ratio 100). This work underscores calcination atmosphere engineering as potent strategy for optimizing metal-support interactions in heterogeneous catalysts for efficient hydrogenation.

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Calcination Atmosphere-Engineered Cu/SiO2 Catalysts for Efficient Hydrogenation of Dimethyl Succinate to 1,4-Butanediol

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60686-X• Jan 15, 2026

Synthesis of Plate-Like Alumina via Synergistic Activation from Co-Combustion Ash of Coal Gangue and Corn Stalk

Authors: MIAO Hengyang, WANG Zhiqing, LIU Zheyu, LU Jun, FANG Yitian

This study reports a streamlined route for synthesizing plate-like α-Al2O3 via co-combustion activation of coal gangue and corn stalk, enabling high-value utilization of solid wastes. The introduction of corn stalk significantly reduces the apparent activation energy of coal gangue combustion and increases the acid leaching yield of aluminum to 81.9%. Mechanism analysis reveals that titanium and iron ions in the co-combustion ash leachate act as natural morphology regulators, facilitating the formation of a plate-like structure in the alumina product, with titanium exhibiting leaching behavior consistent with that of aluminum. Furthermore, a high content of AlO6 structural units in the precursor effectively promotes the direct conversion into dense α-Al2O3 crystals during thermal treatment, thereby enhancing product density. Under optimized conditions (800 °C, 1 h), the as-prepared α-Al2O3 exhibits a plate-like morphology, with a median particle size (d50) of 5.70 μm and a density of 4.94 g/cm3. This work provides a new approach for the synergistic resource utilization of coal gangue and biomass waste.

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Synthesis of Plate-Like Alumina via Synergistic Activation from Co-Combustion Ash of Coal Gangue and Corn Stalk

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60668-8• Jan 15, 2026

Influence of Si/Al ratio of MFI zeolites on the microstructure and catalytic performance of Co-based catalyst for N2O decomposition

Authors: MA Jiajun, ZHANG Liangliang, WU Ruifang, LIN Xiangqian, YANG Minxia, ZHU Guangyun, ZHENG Ke, WANG Yongzhao

A series of Co-based molecular sieve catalysts with varying Si/Al ratios was synthesized via impregnation. Microstructural properties of Co active sites were characterized by XRD, TEM, Raman, H2-TPR, Py-FTIR, and XPS. Results indicate that surface Co species predominantly exist as CoOx nanoclusters and isolated Co2+, with the latter exhibiting superior N2O decomposition activity. Decreasing the Si/Al ratio of the MFI zeolite promotes the formation of isolated Co2+ active sites, thereby enhancing catalytic performance. Compared to Co/S-1 (pure silica support), the Co/HZ60 catalyst (low Si/Al ratio ZSM-5) lowers the temperature for complete N2O decomposition by 80 °C and demonstrates excellent resistance to O2 and NO. The strong interaction between the zeolite framework and Co2+ inhibits oxidation to Co3+, improving N2O adsorption and activation. This work provides a rational design strategy for efficient and stable Co-based catalysts for N2O abatement in industrial tail gases.

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Influence of Si/Al ratio of MFI zeolites on the microstructure and catalytic performance of Co-based catalyst for N2O decomposition

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.3724/2097-213X.2026.JFCT.0006• Jan 15, 2026

Progress of Biomass/Coal-Based Carbon Materials as Electrocatalysts for Oxygen Reduction Reaction

Authors: ZHAO Xiaoting, WANG Zhiqing, LU Jun, FANG Yitian, LIU Zheyu

The oxygen reduction reaction (ORR) is a critical cathode reaction in fuel cells and metal-air batteries, yet its sluggish kinetics and high overpotential severely limit device performance. Conventional platinum-based catalysts suffer from prohibitive cost (accounting for up to 40% of total fuel cell system cost), scarce reserves, and poor tolerance to methanol and carbon monoxide, impeding large-scale commercialization. This review systematically summarizes recent advances in biomass/coal-based carbon materials as ORR electrocatalysts, focusing on raw material characteristics, preparation methods, structural regulation, and performance evaluation. Biomass and coal precursors offer advantages of low cost, abundant availability, and natural heteroatom doping (N, P, S), enabling the design of high-performance, metal-free catalysts. Key challenges include ensuring raw material homogeneity, precise control of active sites, and scalable synthesis. Future research directions emphasize optimizing pore structure and surface chemistry to enhance four-electron selectivity and stability. The review provides theoretical guidance for developing cost-effective ORR catalysts to replace platinum, thereby accelerating the deployment of clean energy technologies.

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Progress of Biomass/Coal-Based Carbon Materials as Electrocatalysts for Oxygen Reduction Reaction

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60717-7• Jan 15, 2026

Hydrothermal Liquefaction of Alkaline Lignin with In Situ Hydrogen Supply from Formic Acid

Authors: LI Bingshuo, LIU Longfei, ZHANG Bowen, WANG Zhicai, YANG Tianhua

Alkali lignin, a high-volume byproduct from pulp and paper manufacturing and biomass refining, is a promising feedstock for aromatic hydrocarbon production in liquid fuels due to its high energy density and abundant aromatic moieties. However, its highly cross-linked polymeric structure hinders efficient valorization. This work investigates catalytic conversion of alkali lignin into bio-oil under in situ H2 supply from formic acid. A series of Ni-Mo/h-BN bimetallic catalysts with varied metal ratios were synthesized by impregnation and characterized by XPS, XRD, and other techniques. The effects of reaction parameters on H2 production via aqueous-phase reforming (APR) of formic acid were evaluated. Optimal H2 yield was achieved at a formic acid-to-water molar ratio of 1:10 and a Ni/Mo atomic ratio of 3:1. H2 yield increased monotonically with temperature from 220 to 280 °C, reaching a maximum of 38.48 mmol. Subsequently, influences of reaction temperature and residence time on bio-oil production were examined. The highest heavy bio-oil yield (18.93%) and maximum relative content of aromatic hydrocarbons (13.81%) were both achieved at 280 °C. Prolonged reaction time reduced heavy bio-oil yield and aromatic hydrocarbon abundance while favoring furan derivatives. This work demonstrates good synergy between in situ hydrogen generation from formic acid and lignin hydrogenation in the temperature range 240–280 °C.

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Hydrothermal Liquefaction of Alkaline Lignin with In Situ Hydrogen Supply from Formic Acid

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Original ResearchVol. 54, Issue 8 • pp. 100-112DOI: 10.1016/S1872-5813(26)60669-X• Jan 15, 2026

Effect of UiO-66 Precursors with Different Ce/Zr Ratios on the Performance of Pt-Based Catalysts in Dry Methane Reforming Reactions

Authors: YANG Chen, JIANG Panying, SHEN Dongyang, ZHANG Yuhua, LI Jinlin, LI Lin

Dry reforming of methane (DRM) converts CH4 and CO2 into syngas with a unity H2/CO ratio, but suffers from catalyst deactivation via sintering and carbon deposition at high temperatures. This study addresses these challenges by employing UiO-66 as a precursor to modify Pt-based catalysts. A series of Pt/CeO2-ZrO2 catalysts were synthesized via incipient wetness impregnation using supports with varying Ce/Zr ratios prepared hydrothermally. Comprehensive characterization—including CO2-TPD, CH4-TPD, XPS, XAFS, in situ DRIFTS, TG, and Raman spectroscopy—revealed a volcano-type correlation between DRM performance and Ce/Zr ratio. Optimal activity and stability were achieved with Pt/3CeO2-ZrO2 (Ce/Zr = 3:1). This catalyst features highly dispersed platinum, primarily as single atoms and thermally stable PtOx clusters. It exhibits the highest concentration of Ce3+ and Zr3+ species, abundant oxygen vacancies, and high defect density, indicating strong metal-support interaction. Mechanistically, stable DRM is facilitated by oxygen-assisted CH4 dissociation and hydrogen-assisted CO2 dissociation. At 800 °C, CH4 and CO2 conversions reached 86% and 93%, respectively, with H2/CO ratio near unity. A 10 h stability test showed no detectable carbon deposition. These results confirm that the catalyst enhances reaction kinetics while demonstrating superior activity, stability, and resistance to coking and sintering.

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Effect of UiO-66 Precursors with Different Ce/Zr Ratios on the Performance of Pt-Based Catalysts in Dry Methane Reforming Reactions

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