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WJ
Verified CAS / Academic Author26 Decoded Studies

Prof. WANG Junfang

Suzhou Institute of Nano-tech and Nano-Bionics, Chinese Academy of Sciences

Co-Affiliations:Shanghai Jiao Tong UniversityInstitute of Functional Nano & Soft Materials (FUNSOM), Soochow UniversityChengdu Guibao Technology Co., Ltd., Chengdu 610000, China; Chengdu Organic Chemistry Co., Ltd., Chinese Academy of Sciences, Chengdu 610000, China; Guibao (Meishan) New Energy Materials Co., Ltd., Meishan 620860, ChinaGuangdong Provincial Academy of Environmental Science, Guangdong-Hong Kong-Macao Laboratory of Environmental Pollution and Risk Control of Earth Critical Zone (Soil), Guangzhou 510700, ChinaTaiyuan University of Technology; Peking UniversityCollege of Marine Sciences, South China Agricultural University, Guangzhou, 510642, ChinaSchool of Materials Science and Engineering, Tsinghua University

Research Publications & English Decoded Briefs

Showing 26 publications
SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4245-4

Single-component MXene-based sensor array generates independent and high-dimensional characteristics for discriminating volatile organic compounds

The discrimination of volatile organic compounds (VOCs) at trace concentrations remains a critical challenge for environmental monitoring, industrial process control, and non-invasive disease diagnostics. Conventional electronic noses rely on sensor arrays comprising multiple chemically distinct receptors, which introduces fabrication complexity, calibration drift, and cross-sensitivity. Here, we demonstrate that a single-component Ti3C2Tx MXene (TM) sensor array, engineered through controlled surface chemistry and device architecture, generates independent and high-dimensional characteristics (IHC) sufficient for precise VOC pattern recognition. By exploiting the intrinsic heterogeneity of TM basal planes and edge sites, we achieve differential interaction motifs without expanding elemental composition. The array discriminates VOCs including acetone, ethanol, toluene, and hexane at concentrations down to 100 ppb with classification accuracy exceeding 95%. Principal component analysis reveals distinct clustering with cumulative variance of 92.3% captured by the first three principal components. The sensor exhibits a limit of detection of 50 ppb for acetone and response/recovery times of 12 s and 18 s, respectively. Long-term stability tests over 30 days show less than 5% signal degradation. This single-component strategy simplifies fabrication, reduces calibration overhead, and offers a scalable pathway for miniaturized, low-power VOC sensing platforms compatible with Internet of Things (IoT) deployment.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4263-3

Anisotropic Strain Tunable Near-Infrared Exciton Emission in Phosphorene

Monolayer black phosphorus (phosphorene) exhibits a direct bandgap and strong in-plane anisotropy, making it a promising candidate for near-infrared (NIR) optoelectronic devices. However, the precise modulation of its excitonic emission via anisotropic strain remains insufficiently understood, particularly regarding the contrasting strain responses of phosphorene versus transition metal dichalcogenides (TMDs). Here, we combine experimental characterization with tight-binding (TB) modeling to elucidate the strain-dependent bandgap evolution in phosphorene. Using a four-band TB model, we derive the bandgap at the Γ point as E_g^BP = 4t1 + 2t2 + 4t3 + 2t5, with hopping parameters t1 = -1.220 eV, t2 = 3.665 eV, t3 = -0.205 eV, t4 = -0.105 eV, and t5 = -0.055 eV. Under tensile strain along the zigzag (ZZ) direction, the interatomic distance associated with t1 increases, reducing the magnitude of |t1|. Since t1 is negative, the bandgap increases, contrary to the behavior of monolayer MoS2, where tensile strain decreases the bandgap due to positive hopping parameters t11, t22, and t12. This anisotropic strain response enables selective tuning of NIR exciton emission. Our findings provide a quantitative framework for strain engineering in phosphorene-based NIR devices, highlighting the critical role of hopping parameter signs in determining bandgap modulation.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4369-1

Dual-Modulation of Carbon Coating and High-Valence Nb5+ Doping Toward High-Performance Na3V2(PO4)2O2F Cathode for Sodium-Ion Batteries

Sodium-ion batteries (SIBs) are promising alternatives to lithium-ion batteries for large-scale energy storage due to sodium's abundance and low cost. Among cathode materials, polyanionic compounds like Na3V2(PO4)2O2F (NVPOF) offer high energy density and dual voltage plateaus at ~3.6 and 4.0 V, but suffer from low electronic conductivity and sluggish Na+ diffusion. Here, we report a dual-modulation strategy combining high-valence Nb5+ doping and polydopamine-derived carbon coating to synthesize Na3V1.94Nb0.06(PO4)2O2F-C (NVPOF-Nb-C) via a hydrothermal route. X-ray diffraction and Rietveld refinement confirm that Nb5+ doping induces slight lattice expansion without altering the tetragonal I4/mmm framework. Density functional theory calculations reveal that Nb5+ doping optimizes the crystal structure and reduces the Na+ diffusion barrier, while the uniform carbon coating enhances electron transport. Consequently, NVPOF-Nb-C exhibits remarkably improved electrochemical performance, including high reversible capacity, excellent rate capability, and ultralong cycling stability. In a full cell with hard carbon anode, it delivers a high energy density of 487.2 Wh kg−1 at 1C and retains 91.51% capacity after 3000 cycles at 20C. This work provides a synergistic strategy to overcome the intrinsic limitations of polyanionic cathodes for practical SIB applications.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4287-1

Metal Atomic Clusters for Oxygen-Bearing Materials: From Adversity Comes Opportunity

Atomic-level manufacturing is a frontier technology enabling materials to achieve ultimate performance. This study explores the potential applications and critical scientific issues of metal atomic clusters, which are predominantly used in catalysis but suffer from intrinsic instability, leading to low yield, inconsistent size and structure, and susceptibility to agglomeration, oxidation, and sintering. We propose a novel concept: employing oxidized metal atomic clusters as dopants in oxygen-bearing materials, such as oxide dispersion strengthened (ODS) alloys, oxide-based cermets, and toughening ceramics. Using ODS alloy as a proof-of-concept, Ni-NiO coupled cluster-strengthened metallic Ni exhibits finer grains, a larger proportion of low-angle grain boundaries, higher geometrically necessary dislocation density, and achieves a 38% enhancement in Vickers hardness. To advance this concept, four critical scientific issues require resolution: oxidation control, disaggregation and dispersion, effectiveness comparison, and physicochemical behaviors and mechanisms. This work bridges the gap between atomic-level manufacturing and structural materials, offering a pathway to overcome the instability of metal clusters by leveraging their oxidation characteristics.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3738-1

Natural Biomass-Derived Polysaccharide Materials for Flexible Wearable Smart Textiles

The escalating demand for intelligent and functional textiles, driven by technological advancements, has shifted focus from conventional attributes like warmth and aesthetics to smart functionalities. Natural biomass-derived polysaccharides, owing to their biocompatibility, biodegradability, renewability, and unique chemical structures, are pivotal for next-generation flexible wearable smart textiles. This review systematically outlines common natural polysaccharides (e.g., cellulose, chitosan, starch, alginate) used in such textiles, detailing their structural features and modification strategies. It critically evaluates current fabrication methods, highlighting their advantages and limitations. The performance characteristics, action mechanisms, and application scenarios of polysaccharide-based smart textiles are examined, with emphasis on healthcare, motion tracking, smart clothing, and energy storage/management. The review concludes by addressing existing challenges and proposing future directions for integrating polysaccharide materials into smart textile systems, aiming to guide the development of efficient, green flexible wearable devices.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3746-x

Dual Regulation Strategy to Construct Robust and High-Conductivity Na3V2(PO4)2O2F for Ultra-Long-Life Sodium-Ion Full Cells

The polyanionic compound Na3V2(PO4)2O2F (NVPOF) possesses a stable three-dimensional framework, high theoretical specific capacity, and favorable operating voltage, yet its sluggish Na+ diffusion kinetics and low electronic conductivity impede industrial application. This study proposes a dual regulation strategy combining carbon coating and heat treatment temperature to synergistically enhance crystallinity and electrochemical performance. NVPOF@C-400 and NVPOF@C-600 were synthesized via in-situ dopamine hydrochloride coating followed by heat treatment at 400 °C and 600 °C, respectively. Carbon coating at 600 °C significantly improved crystallinity and increased electronic conductivity by three orders of magnitude through the carbon layer's conductive network. The ~4.5 nm carbon layer effectively suppressed abnormal grain growth and secondary crystallization aggregation at high temperatures, maintaining uniform particle size of approximately 0.36 μm, which shortens Na+ diffusion pathways and prevents ion transport obstruction. Consequently, NVPOF@C-600 delivered a high discharge capacity of 102.5 mAh g−1 at 20 C and retained 96.5% capacity after 10,000 cycles. In a full-cell configuration with hard carbon (HC), NVPOF@C-600//HC achieved an impressive 89.3% capacity retention after 9,000 cycles. This work provides critical insights for practical implementation of high-performance NVPOF cathodes in sodium-ion batteries.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3640-3

Nanodrug Engineered Bacteria for Tumor-Targeted and Synergistic Photothermal Immunotherapy

Cancer immunotherapy, particularly small-molecule immune checkpoint inhibitors (ICIs), offers low cost and high tumor diffusion but suffers from limited efficacy and systemic toxicity. Here, we engineered non-pathogenic Escherichia coli MG1655 for tumor-targeted and synergistic photothermal immunotherapy. Polydopamine (PDA) was coated onto the bacterial surface via in situ polymerization, followed by noncovalent attachment of the IDO-1 inhibitor NLG919, yielding MG1655@PDA-NLG. The functionalized bacteria retained viability and bioactivity while exhibiting outstanding photothermal conversion. In a murine CT26 colon tumor model, intravenous injection led to effective tumor accumulation within 12 h and complete clearance from major organs by 72 h, with negligible hematological toxicity, confirming hypoxic tumor-targeting and biosafety. Under near-infrared irradiation, the engineered bacteria inhibited tumor growth by over 90%, combining photothermal effect and immunogenic cell death (ICD) to promote dendritic cell maturation. This synergized with suppression of tryptophan metabolism, enhancing CD4+ and CD8+ T cell infiltration. This work demonstrates a simple, safe strategy for surface engineering of bacteria with multiple therapeutic agents, offering a promising approach for precise and combined cancer immunotherapy.

New Carbon Materials2026DOI: 10.1016/S1872-5805(26)61109-2

Changing the carbon framework to produce low-expansion silicon-carbon composites for high-performance lithium-ion batteries

Silicon-carbon (Si/C) composites are promising high-capacity anode materials for next-generation lithium-ion batteries, but their commercialization is hindered by severe volume expansion during cycling. We report a chemical vapor deposition method using the pyrolysis of silane, in which ultrafine nano-Si enters a porous carbon framework to produce kilogram-scale Si/C composites. The carbon framework with abundant micropores (~1.9 nm) confines the amorphous silicon and accommodates the volume changes of nano-Si during both lithiation and de-lithiation. The resulting Si/C composites have a 56.76% Si content and have a specific capacity of 2179 mAh g–1, a high initial Coulombic efficiency (ICE) of 93.5%, and a low specific surface area (1.32 m2 g–1). In addition to the nanoconfinement effect, the median particle size (D50, 7.3-13.0 μm) of the carbon framework was shown to control the mechanical strength, coating uniformity and Li+ transport. A D50 of 8.2 μm endows the Si/C composites with outstanding comprehensive properties. They have an excellent rate performance with a 97.0% retention at 3 C relative to 0.1 C, show only minor variations in ICE difference at 60 ℃/-20 ℃ compared with room temperature, and have a low expansion of 35.8% from the delithiated to the lithiated state. The composite was then mixed with graphite to prepare the anode, which was then paired with an NCM523 cathode to assemble pouch cells. The pouch cell retained 87.46% of its initial capacity after 1000 cycles at 1 C. Because of the low expansion of the electrode, the material avoids structural degradation during cycling and thus has an excellent long-term stability.

New Carbon Materials2026DOI: 10.1016/S1872-5805(26)61106-7

Stabilization of Sulfur Species in Coal-Derived Hard Carbon via Micropore Confinement and Chemical Bonding for Enhanced Sodium Storage

Hard carbon anodes for sodium-ion batteries suffer from limited capacity, low initial Coulombic efficiency, and poor long-term cycling stability. To address these issues, we report a dual-stabilization strategy that combines micropore confinement and chemical bonding to control sulfur species in coal-derived hard carbon. Bituminous coal, with its naturally condensed aromatic framework, serves as the carbon precursor. A two-step thermal process first constructs a microporous carbon framework, followed by gas-phase sulfidation to introduce sulfur. The sulfur is confined within micropores and forms stable covalent C–S bonds with the carbon matrix, providing synergistic physical–chemical stabilization. This suppresses sulfur migration, prevents interfacial side reactions, and introduces additional redox-active sites. The optimized sample (HC-10) delivers a high reversible capacity of 450 mAh/g after 800 cycles at a current density of 1 A/g, with excellent rate capability and cycling stability. Mechanistic analysis reveals that the stabilized sulfur species reversibly participate in sodium-ion storage and improve interfacial kinetics. This work provides an effective strategy for stabilizing sulfur in coal-derived carbon materials and offers insights into the design of high-performance anodes for sodium-ion batteries.

Journal of Environmental Engineering Technology2026DOI: 10.13205/j.hjgc.202605017

Magnetic Field-Enhanced Electrostatic Dust Collector Coupled with Wire Mesh Filtration

In response to the escalating challenge of industrial dust pollution, this study introduces a magnetic field-enhanced electrostatic dust collector integrated with wire mesh filtration. By applying an external magnetic field, the conventional electrostatic precipitation process is physically intensified. Systematic experiments compared discharge characteristics and dust removal efficiency with and without magnetic field intervention. The influence of wire mesh structural parameters was investigated, focusing on pore size (1, 2, 3 mm), number of stacked layers (1, 2, 3), and surface composite filtration materials (polyethylene filter mesh, polyamide mesh). Additionally, the effects of airflow velocity (1–5 m/s), inlet flow direction (forward/reverse), and dust type (fly ash, coal combustion dust, cement ash) on removal efficiency were tested. Results demonstrate that the optimized magnetic field-wire mesh coupling significantly enhances the charging and capture of fine dust. Specifically, smaller mesh apertures improve efficiency, with 1 mm yielding the best performance. Increasing the number of mesh layers effectively enhances efficiency at discharge voltages of 13–17 kV. Coating the mesh with either polyethylene or polyamide further improves efficiency, with negligible difference between the two materials. Reverse airflow direction results in lower effective gas velocity due to opposing gravity and drag forces, yet the combined magnetic and electric fields stabilize particle charging and enhance trajectory deflection, leading to improved overall performance. Dust resistivity is a critical factor: lower resistivity facilitates charging, while higher resistivity induces back corona, reducing efficiency. Magnetic field enhancement mitigates back corona and improves removal, particularly for high-resistivity cement ash. These findings offer a viable technical solution for efficient industrial flue gas dedusting.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3936-8

Cascade-Controlled Porous Composite Membranes: Pore-Supporting Synergy Enabling High-Flux Enantioseparation of Amino Acids and Pharmaceuticals

The precise separation of enantiomers is essential for developing effective chiral drugs, yet conventional membranes are constrained by the ubiquitous selectivity-permeability trade-off and low flux, limiting scalable production of single-enantiomer drugs. Herein, we present a cascade reaction strategy integrating Sonogashira-Hagihara coupling and Friedel-Crafts alkylation to fabricate porous conjugated microporous polymer membranes (CCMP-M P1–4/SiO2). This approach enhances specific surface area by 400-fold compared to the product from the Sonogashira-Hagihara coupling reaction alone, creating interconnected porous networks that facilitate mass transport. This hypothesis was confirmed by pore-size gradient experiments, which revealed a critical size-matching effect: matched molecular dimensions enable high-speed mass transfer with 97% enantioselectivity, while mismatch reduces selectivity to 9%, as visualized in a separation performance matrix across four chiral molecules. Precise chiral recognition is programmable via absolute configuration control of chiral monomers, with the mechanism of “preferential adsorption–interfacial enrichment–promoted diffusion” confirmed by static adsorption and density functional theory calculations. This strategy achieves breakthrough performance: Naproxen flux reaches 37 mmol m−2 h−1, surpassing literature values, and enables membrane-based separation of Raceanisodamine (89% selectivity of 6S, 2′S and 6R, 2′R-isomer after cascade enrichment) for the first time. This work provides a new paradigm for designing high-performance chiral separation membranes, facilitating scalable and sustainable production of single-enantiomer drugs.

Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202509095

Mechanistic Insights into Biochar@PVA-SA Composite Fillers for Enhanced Biopurification of Isohexane in Biotrickling Filters

Biotrickling filtration (BTF) is a promising technology for treating volatile organic compounds (VOCs), but its application to hydrophobic alkanes like isohexane is hindered by mass transfer limitations, low degradation efficiency, and high operational costs. To address these bottlenecks, this study developed composite fillers by incorporating biochars derived from coffee grounds (CG), coconut shells (CS), corn cobs (CC), and activated carbon (AC) into a polyvinyl alcohol-sodium alginate (PVA-SA) hydrogel matrix. The fillers were systematically characterized for water retention, pore structure, surface functional groups, crystalline phase, and acid-base resistance. Adsorption capacity, biofilm formation, and isohexane degradation were evaluated using the strain Rhodococcus ruber ZYH-ZY. Among the composites, CG@PVA-SA exhibited superior performance: water retention of 358 mg·g−1 (vs. 280 mg·g−1 for control), enhanced mesoporosity (specific surface area 4.77 m2·g−1, pore volume 11.46 cm3·kg−1, 10–30% higher than control), and robust acid-base stability (mass loss 21.37% at pH 2 and 31.98% at pH 10). Its saturated adsorption capacity reached 201.02 mg·kg−1 (vs. 114.24 mg·kg−1 for control), and it promoted bacterial colonization with a survival rate of 79.0% (vs. 37.2% for control). Static degradation tests showed 96.59% removal of 10 μL isohexane within 24 h. The abundant polar functional groups and suitable mesoporous structure of coffee ground biochar synergized with the PVA-SA matrix, enhancing water retention, mass transfer, and microbial colonization, thereby significantly improving isohexane purification. CG@PVA-SA is an ideal filler for BTF treatment of alkane VOCs, offering a cost-effective and efficient solution for industrial VOC control.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3925-5

Achieving wide linear range and high sensitivity in capacitive pressure sensors via a stretchable nanofilm with interlocked hierarchy

Capacitive pressure sensors have garnered significant attention in electronic skin, human-machine interaction, health monitoring, and medical devices due to their remarkable properties like highly sensitive pressure perception, good repeatability, and rapid response capabilities. However, manufacturing capacitive pressure sensors that simultaneously achieve a broad linear detection range and high sensitivity remains a significant challenge. Herein, a novel hierarchically interlocked capacitive pressure sensor (HI-CPS) was designed by integrating a stretchable polyethylene glycol (PEG)-based nanofilm dielectric layer with hierarchically interlocked microstructures, demonstrating excellent linearity and high sensitivity over a wide sensing range. HI-CPS based on a one-layer nanofilm exhibits ultrahigh sensitivity (9.40 kPa−1) and an ultralow detection limit (0.1 Pa). When the dielectric layer comprises two layers of stacked nanofilms, the sensor not only maintains high sensitivity (3.17 kPa−1) but also achieves excellent linearity (R2 = 0.999) over a broad working range (<5 kPa), along with remarkable stability even after 10,000 cycles. Benefitting from the outstanding comprehensive performance, HI-CPS has been proven to be successfully implemented in monitoring various human biological signals, sign language recognition, and basketball shooting gesture correction. This strategy of assembling the tailored nanofilm with structural engineering has significant potential application in building high-performance pressure detection and recognition devices.

Journal of Fuel Chemistry and Technology2026DOI: 10.1016/S1872-5813(26)60642-1

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

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.

Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202511046

Comparative Carbon Footprint of Ex-situ Remediation Facility and On-site Remediation Modes for Contaminated Soil

To evaluate the carbon footprint differences between the emerging ex-situ remediation facility mode and the conventional on-site remediation mode in China, this study employed the SEFA tool to calculate greenhouse gas (GHG) emissions and energy consumption for four typical remediation scenarios. Results indicate that the carbon emission intensity of solidification/stabilization (S/S) in the remediation facility is 12.00% higher than that of on-site S/S, with unit carbon intensities of 66.74 and 59.59 kgCO2e·m−3, respectively, and total energy consumption 11.90% higher. The soil transport segment in the facility S/S contributes 13% of carbon emissions, being the primary reason for its higher total carbon footprint. Conversely, thermal desorption (TD) in the facility exhibits 11.10% lower carbon emissions than on-site TD, with unit intensities of 269.16 and 302.78 kgCO2e·m−3, and total energy consumption 3.97% lower, mainly due to the utilization of landfill biogas as renewable energy for heat and power generation, while soil transport contributes only 3% of emissions. The reagent segment in S/S and the heat supply segment in TD account for 77%–86% and 70%–72% of total GHG emissions, respectively. The study demonstrates that remediation facilities, leveraging advantages such as landfill biogas, can actively aggregate contaminated soil from surrounding areas for centralized thermal desorption, which is beneficial for regional carbon emission reduction in soil remediation.

Journal of Fuel Chemistry and Technology2026DOI: 10.1016/S1872-5813(26)60743-8

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

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.

Journal of Fuel Chemistry and Technology2026DOI: 10.1016/S1872-5813(26)60688-3

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

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.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2025042304

Spatial Distribution Similarities and Differences of Atmospheric PM2.5 Chemical Components in Typical Cities of Central and Southern China

To characterize the spatial variability of PM2.5 chemical components at the urban scale, ambient PM2.5 samples were collected from eight sites across Changsha, China. Samples were analyzed using ion chromatography, elemental carbon/organic carbon (EC/OC) analysis, and X-ray fluorescence (XRF) spectroscopy. Results showed that PM2.5 concentrations in urban areas were significantly higher than in suburban locations, with notably elevated levels at Changsha New Railway Station and Mapoling. Across different PM2.5 pollution levels, the eight sites exhibited pronounced spatial differences in concentration while sharing similar chemical compositions. Source apportionment identified secondary nitrate, vehicle emissions, and secondary sulfate as major contributors to PM2.5. The spatial distribution of these sources varied distinctly: secondary nitrate showed lower contributions in central areas but higher in western and southeastern regions; secondary sulfate was more prominent in the southeast, while vehicle emissions contributed more in the southeast and less in the west. Additionally, aerosol liquid water content promoted the secondary formation of nitrate and sulfate, exacerbating PM2.5 pollution. Secondary organic carbon was elevated in areas with high pedestrian density, suggesting enhanced secondary organic aerosol formation under intensive human activity. The study provides insights for targeted pollution control strategies in Changsha and similar cities.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2025051404

Distribution Characteristics and Risk Assessment of Typical Rubber Additives and Their Transformation Products in the Guangzhou Section of the Pearl River, China

Rubber additives, such as 1,3-diphenylguanidine (DPG) and p-phenylenediamine antioxidants (PPDs), are widely used in the rubber industry and have been increasingly detected in aquatic environments. This study investigated the distribution characteristics and potential sources of seven typical rubber additives (DPG, 6PPD, IPPD, DPPD, CPPD, DNPD, and 77PD) and the transformation product 6PPD-Q in surface water of the Guangzhou section of the Pearl River, China. A total of 29 sampling sites were analyzed. Total concentrations of the target compounds ranged from 205 to 5400 ng·L−1, with a mean of (820±1100) ng·L−1. DPG was the dominant compound in both dissolved and particle phases, accounting for (99±1.9)% and (66±13)% of the total concentrations, respectively. Source analysis indicated that aquaculture, vessel navigation, agricultural runoff, and wastewater treatment plant discharges likely influence the occurrence of rubber additives in this river section. Risk quotient (RQ) assessment revealed that 6PPD-Q posed high ecological risk at all sampling sites (RQ > 1), while DPG exhibited moderate to high risk at most sites (RQ > 0.1). In contrast, 6PPD, IPPD, CPPD, and DPPD showed low ecological risk. These findings highlight the need for heightened attention to the ecological risks posed by 6PPD-Q and DPG in the Pearl River Basin and provide scientific data for pollution prevention and risk management.

Journal of Environmental Engineering Technology2026DOI: 10.13205/j.hjgc.202608009

Numerical Simulation and Application of Natural Draft Direct Air-Cooling Tower for Large Coal-Fired Power Units

To investigate the flow and heat transfer characteristics of natural draft direct air-cooling towers (NDC) for large coal-fired power generating units, a three-dimensional CFD numerical model covering major plant buildings, air-cooled radiators, and ambient wind fields was established based on the NDC systems of a 2×660 MW unit of a power plant. The influences of meteorological factors, including ambient wind speed, ambient temperature, and ambient wind direction, as well as regulation measures such as rolling shutters, louvers, and bypass windows on the heat dissipation performance of NDC towers were systematically analyzed. The results demonstrate that ambient wind speed acts as the dominant factor governing the performance of the NDC system. As wind speed rose, the uneven distribution of air intake volume and heat dissipation among each cooling delta increased remarkably, which elevated the unit back pressure, and the upstream tower suffered more severe impacts than the downstream one. Ambient temperature exerted a slight effect on circumferential flow distribution, yet substantially changed the overall back pressure of the system. In terms of regulation strategies, closing rolling shutters in the windward zone and reducing the opening of partial louvers can improve air flow redistribution to a certain extent, but will reduce the total air flow rate and total heat dissipation of the entire tower. By contrast, bottom bypass windows can effectively optimize the air intake on the leeward side and boost heat dissipation under high-wind operating conditions, whereas top bypass windows deliver only limited improvement effects. This research can provide fundamental data and technical references for the optimal design, operational regulation, and energy-saving retrofitting of large NDC units.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3977-8

Solvent-Hydrolysis-Driven Engineering of Ordered Single Quantum Well 2D Perovskites

Single quantum well (single-QW) two-dimensional (2D) perovskites are poised to revolutionize optoelectronic devices owing to their superior stability and optoelectronic properties. However, solution-processed 2D perovskites typically suffer from disordered multiple-QW structures, leading to inconsistent device performance. Here, we introduce a solvent-hydrolysis-driven method to control crystallization kinetics, yielding highly ordered single-QW 2D perovskite films. Dimethylamine (DMA), generated from the hydrolysis of N,N-dimethylformamide (DMF), serves as a critical mediator, preventing cluster aggregation and ensuring a uniform colloidal distribution. This approach circumvents the formation of a heterogeneous intermediate phase, thereby promoting the formation of a homogeneous (DMA,MA)PbI3 phase, which is essential for single-QW film development. The resultant photodetector exhibits outstanding performance, with a responsivity of 1153 mA/W and a detectivity of 6.98 × 10^12 Jones, along with excellent photostability under ambient conditions. These attributes render it ideal for photoelectric imaging sensors and large-scale integration. Our findings establish a scalable, solution-processed strategy for high-performance 2D perovskite materials, opening new avenues for advanced optoelectronic applications.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4018-6

Cryogenic Tribological Breakthroughs in Medium-Entropy Alloy Composites via Regulated Partial Recrystallization

The pursuit of advanced wear-resistant materials for cryogenic applications is often hindered by a fundamental trade-off between enhancing strength and damage tolerance. CoCrNi-based medium-entropy alloys (MEAs), while excellent in cryogenic toughness, suffer from this very limitation. Although second-phase reinforcement boosts strength, the strain incompatibility between phases inevitably triggers cracking, which is severely exacerbated at low temperatures. This work introduces a novel microstructural design strategy based on regulated partial recrystallization to overcome this long-standing challenge. By tailoring the thermomechanical processing of a (CoCrNi)90Mo10 MEA, we engineered a unique architecture where a fully recrystallized FCC phase is homogeneously embedded within a continuous skeleton of a hard, non-recrystallized σ phase. The alloy with this optimized microstructure achieved a remarkably low wear rate at 113 K that is less than half of its as-cast and fully recrystallized counterparts. The experimental and modeling results indicate the underlying synergy: the σ skeleton provides robust structural support and distributes stress deeply, while the recrystallized FCC phase, with its high density of grain boundaries and annealing twins, acts as a compliant strain-accommodating medium, effectively suppressing interfacial cracking. This combined 'skeleton effect' and 'recrystallization effect' not only delivers exceptional cryogenic wear resistance but also offers a practical strategy for designing high-performance, crack-resistant dual-phase composites for extreme environments.

Journal of Fuel Chemistry and Technology2026DOI: 10.1016/S1872-5813(26)60667-6

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

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.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4066-x

Harnessing Anion Intercalation to Activate Layered Double Hydroxides for Efficient and Stable Seawater Splitting

Direct seawater electrolysis offers a sustainable route to green hydrogen, yet is hindered by the competing chlorine evolution reaction and severe catalyst corrosion. Layered double hydroxides (LDHs), with tunable host layers and exchangeable interlayer galleries, are promising for the oxygen evolution reaction (OER) in seawater, but their intrinsic activity and chloride tolerance need enhancement. Anion intercalation engineering has emerged as a powerful strategy to address these challenges. By inserting functional anions—from simple inorganic ions and polyoxometalates to organic molecules—into LDH interlayers, it is possible to expand interlayer spacing for improved mass transport, modulate the electronic structure of metal centers to boost intrinsic OER activity, and create a negatively charged interfacial microenvironment that selectively enriches OH−. This review comprehensively examines design principles, mechanistic insights, and catalytic performance of various anion-intercalated LDHs for seawater splitting. It highlights representative breakthroughs in material design, discusses integration strategies in practical electrolyzer devices, and evaluates long-term stability under industrial operating conditions. Finally, it outlines key challenges and future directions for rational design and scalable deployment of high-performance, durable LDH-based catalysts for sustainable hydrogen production from seawater.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4126-0

Hydrogen-bond engineered supramolecular bismuth halides for flexible X-ray imaging without geometric distortion

Flexible X-ray detectors are constrained by the difficulty of producing semiconductor films that simultaneously exhibit uniform morphology, high crystallinity, and mechanical robustness. Here, we introduce a hydrogen-bond engineered supramolecular (HBES) strategy to overcome these limitations in supramolecular bismuth halide clusters (PDBiI5). By incorporating polyacrylic acid (PAA), a dynamic supramolecular network is formed that suppresses the coffee-ring effect during ultrasonic spray-coating via increased solution viscosity and controlled kinetic balance between solvent evaporation and solute diffusion. The HBES approach also modulates crystallization kinetics, extending crystal growth time from 23 to 41 s, yielding densely packed films with enhanced crystallinity and reduced defect states. These improvements lead to superior charge transport: a hole mobility of 2.16 cm2 V−1 s−1 and a mobility-lifetime product of 9.1 × 10−4 cm2 V−1. The resulting X-ray detectors achieve a record sensitivity of 19,009 μC Gyair−1 cm−2 and an ultralow detection limit of 3.35 nGyair s−1, with excellent operational and environmental stability. Leveraging the mechanical robustness from the supramolecular network, we demonstrate the first direct-type flexible X-ray imager, retaining 85% performance after 1000 bending cycles. This imager overcomes geometric distortion and vignetting, maintaining 85% edge photocurrent versus 58% for rigid detectors, enabling clear imaging of curved objects. This work establishes a versatile supramolecular engineering paradigm for high-performance flexible X-ray detection and imaging.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4163-y

Composition Optimization of Liquid Ga Support for Uniform Cu Dispersion with Sustainable Electroreduction of CO2 to CH4

Liquid metals (LMs) are promising catalyst systems due to their unique interfacial properties, yet migration and aggregation of active species cause performance degradation. Here, we report a composition optimization strategy using a Ga-In eutectic liquid metal support to reduce surface energy and achieve homogeneous incorporation of Cu species (GaIn-Cu). Comprehensive characterizations confirm uniform Cu dispersion, which inhibits migration and formation of CuGa2 intermetallic phases during CO2 electroreduction (CO2RR). The GaIn-10-Cu catalyst achieves a maximum CH4 Faradaic efficiency of 73.49% at -0.8 V vs. RHE, significantly higher than Ga-Cu (61.49%). Moreover, GaIn-10-Cu exhibits enhanced stability for CH4 generation over 40 h of continuous operation. In-situ spectroscopic studies reveal that GaIn-10-Cu favors formation and protonation of key *CHO and *OCH3 intermediates, steering selectivity toward CH4. This work demonstrates that tuning LM composition modulates catalytic site performance, offering a strategy for durable and selective LM-based electrocatalysts.