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Published Research PapersFiltered: Year 2026 • 54 • 4

Showing 16 of 106 peer-reviewed papers with full Graphical Abstracts.

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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