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Verified CAS / Academic Author16 Decoded Studies

Prof. XU Linya

State Key Laboratory of Polymer Physics and Chemistry, Institute of Chemistry, Chinese Academy of Sciences

Co-Affiliations:State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001, ChinaState Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, ChinaCollege of Geographic Science, Hunan Normal University, Changsha, 410081, China; Institute of Tibetan Plateau Research, Chinese Academy of Sciences, Beijing, 100101, China

Research Publications & English Decoded Briefs

Showing 16 publications
SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4300-3

Molecular Weight Engineering of D18 Polymer Enables 20.55% Efficiency in Non-Halogenated Solvent-Processed Organic Solar Cells via Controlled Film Formation Kinetics

The power conversion efficiency (PCE) of organic solar cells (OSCs) has surpassed 21% with the donor polymer D18, yet its processing from non-halogenated solvents like ortho-xylene (o-XY) remains inefficient due to uncontrolled film formation kinetics. Here, we systematically synthesize D18 polymers with molecular weights ranging from 41.6 kDa to 70.9 kDa to modulate crystallization kinetics. In-situ film drying studies reveal that lower molecular weights accelerate solidification, leading to excessive aggregation, while higher molecular weights slow it, causing insufficient phase separation. A medium molecular weight (D18-M) achieves a balanced crystallization rate, promoting favorable morphology and yielding a PCE of 20.55% with L8-BO as acceptor—one of the highest reported for non-halogenated solvent-processed OSCs. Energy loss analysis indicates that although low-molecular-weight polymers exhibit higher intrinsic luminescence, the blend film's emission is governed by exciton environment, which is dictated by morphology. This work underscores the critical role of molecular weight in controlling film formation and morphology, offering a simple yet effective strategy for high-efficiency, environmentally friendly OSCs.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4319-x

Erratum: Correction of Funding Number in 'Investigation on Graphene Growth by Roll-to-Roll Chemical Vapor Deposition'

This erratum corrects an error in the Acknowledgments section of the original article 'Investigation on graphene growth by roll-to-roll chemical vapor deposition' published in Science China Materials, Vol. 65, Issue 4, page 1042, 2022. The authors regret that the funding number (No. (2021)105) for the Shenzhen Science and Technology Program was incorrectly used. The correct funding number is No. KQTD20200820113010022. The authors apologize for any inconvenience caused. This correction does not affect the scientific content, results, or conclusions of the original paper. The original research focused on the kinetics of graphene growth via roll-to-roll chemical vapor deposition (CVD), a scalable method for producing high-quality graphene films. The study addressed challenges in continuous manufacturing, such as uniformity, growth rate, and defect control, and provided insights into optimizing process parameters for industrial-scale production. The erratum ensures accurate attribution of funding sources, maintaining the integrity of the research record.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4293-9

Strategies for Enhancing Multi-Properties of Medium- and High-Entropy Soft Magnetic Alloys

Traditional soft magnetic alloys (SMAs) suffer from a performance trade-off where enhancing magnetic properties often compromises mechanical and other properties, limiting their use in high-efficiency power systems and advanced electronics. The design concept of medium- and high-entropy alloys (M/HEAs) offers a pathway to overcome this limitation. By leveraging multi-principal-element compositions and tailorable microstructures, medium- and high-entropy soft magnetic alloys (M/HE-SMAs) can integrate superior soft magnetic properties with exceptional mechanical strength-ductility synergy, high electrical resistivity, good thermal stability, and excellent corrosion resistance. This article reviews design strategies for synergistic enhancement of multiple properties in M/HE-SMAs, including blending multiple ferromagnetic and non-ferromagnetic elements into solid solution, inducing local chemical order, tailoring nanoprecipitates, controlling grain size, and engineering dual/multi-phase structures. The cooperative interactions among these strategies are discussed. Potential research directions for further development and practical applications are proposed.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3630-2

Dual-interface engineering strategy for optimizing carrier dynamics in perovskite-silicon tandem solar cells

This study demonstrates a dual-interface engineering approach for performance enhancement in perovskite-silicon tandem solar cells. By applying ethylenediamine dihydroiodide (EDAI2) to simultaneously modify both top and bottom interfaces of wide-bandgap perovskite layers, we achieve synergistic defect suppression and charge transport optimization. Time-resolved photoluminescence characterization reveals extended carrier lifetimes and improved spatial homogeneity in dual-modified perovskite films. The optimized single-junction wide-bandgap (>1.66 eV) perovskite solar cells attain a champion efficiency of 22.75% with enhanced operational stability. Implemented in perovskite-silicon tandem configuration, the devices achieve over 31% power conversion efficiency, validating the effectiveness of organic ligand-mediated dual-interface engineering in regulating carrier dynamics and advancing perovskite-based tandem photovoltaics.

Journal of Fuel Chemistry and Technology2026DOI: 10.3724/2097-213X.2025.JFCT.0026

Recent Advances in CO2 Hydrogenation to Light Olefins

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.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3930-3

Stable precursor engineering for large and high-quality MAPbBr3 single crystal toward efficient high-energy radiation detection

Methylammonium lead tribromide (MAPbBr3) single crystals (SCs) are promising for room-temperature gamma-ray and X-ray detection, but scaling their size often compromises crystal quality. Here, we report a strategic precursor stoichiometry engineering approach to grow inch-sized, high-quality MAPbBr3 SCs via a constant-temperature evaporation method. We show that constructing a robust electrical double layer through organic cation modulation effectively stabilizes the colloidal precursor. This is achieved by synergistically suppressing MA+ deprotonation while promoting MA+ adsorption as counterions on the [PbBrn]2−n complexes, which collectively strengthens interparticle repulsion and raises the nucleation barrier. This multifaceted approach yields MAPbBr3 SCs with lateral dimensions up to 2 inches and an exceptional X-ray diffraction rocking curve full width at half maximum (FWHM) of 0.0093° at the (002) face. Consequently, the SCs enable spectroscopic-grade gamma-ray detection, achieving energy resolutions (ER) of 8.4% for the 57Co source (122 keV) and 11.1% for the 137Cs source (662 keV), along with a high X-ray sensitivity of 1.65 × 10^4 μC Gy−1 cm−2. This work paves the way for the practical application of MAPbBr3 SCs in high-performance gamma-ray and X-ray detection.

Journal of Fuel Chemistry and Technology2026DOI: 10.3724/2097-213X.2025.JFCT.0029

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

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.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2025110501

Compensatory Release of Ultrashort-Chain Perfluoroalkyl Substances at the Water-Soil Interface Following Post-Drought Rehydration in Paddy Soil

Ultrashort-chain perfluoroalkyl substances (PFAS) exhibit high hydrophilicity, mobility, and root concentration factors, facilitating their transport and accumulation in soil-crop systems and posing phytotoxicity risks. Post-drought rehydration (PDR) is a critical water management strategy to mitigate drought effects in paddy fields. This study investigated the regulation and mechanisms of PDR on ultrashort-chain PFAS transport in paddy soils through sterilized and non-sterilized experiments, employing three-dimensional fluorescence spectroscopy, Fourier-transform infrared spectroscopy, X-ray photoelectron spectroscopy, X-ray fluorescence spectroscopy, and amplicon sequencing. Results showed that PDR increased the bioavailable fraction of ultrashort-chain PFAS in soil solution while delaying their release into overlying water. Sterilization experiments confirmed that PDR-induced compensatory migration was primarily driven by microbial activity. Geochemical analyses revealed that PDR reduced hydrophilic functional groups (e.g., hydroxyl) on soil particle surfaces and increased cation bridging sites. Microbiological sequencing indicated that PDR activated secondary metabolic pathways, enhancing microbial extracellular polymeric substances (EPS) production, which provided binding sites for ultrashort-chain PFAS. Consequently, EPS competed with soil particles for cation bridging, altering PFAS interfacial partitioning and increasing bioavailable and cation-complexed fractions in soil solution, thereby exacerbating rhizosphere exposure risk to rice. This study elucidates the coupled geochemical and microbiological mechanisms governing ultrashort-chain PFAS mobility under PDR, informing risk assessment and management in paddy agroecosystems.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2026011902

Molecular Regulation of Sulfur Metabolisms Induced by Low-Molecular-Weight Organic Acids on the Diffusion of Perfluoroalkyl and Polyfluoroalkyl Substances at the Water–Soil Interface in Paddy Fields

The migration of perfluoroalkyl and polyfluoroalkyl substances (PFASs) at the water–soil interface in paddy fields is a critical determinant of their environmental fate and crop safety. This study investigated the influence of low-molecular-weight organic acids (LMWOAs) on PFASs mobility under waterlogged conditions. Four LMWOAs—oxalic, citric, lactic, and acetic acids—were individually enriched in paddy soils, and the migration of 15 PFASs was monitored. Acetic acid enrichment most strongly suppressed PFASs release into overlying water. Mechanistic analyses using X-ray photoelectron spectroscopy, three-dimensional excitation–emission matrix spectroscopy, microbial amplicon sequencing, and metagenomics revealed that acetic acid reshaped the microbial community, enriching sulfate-reducing bacteria and upregulating sulfur reduction genes (SULT1A) and nitrogen transformation genes (nifN, nirI, nthB). This drove sulfate reduction to sulfite and sulfide. ABT modeling identified sulfur metabolism as the dominant factor controlling PFASs immobilization (26.06% contribution). Experiments under varying sulfur redox conditions confirmed that sulfite (SO3^2−) oxidation indirectly altered dissolved organic matter (DOM) composition, weakening PFASs–DOM binding and reducing PFASs in overlying water. These findings demonstrate that LMWOAs accumulation, particularly acetic acid, can effectively impede PFASs migration at the paddy water–soil interface via microbial sulfur cycling and associated DOM structural changes, offering a potential strategy for PFASs remediation in agricultural systems.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2025031302

Occurrence, Bioaccumulation, and Elimination of Trifluoropropylmethylsiloxanes in Sediments and Mollusks of Bohai Bay

Trifluoropropylmethylsiloxanes (D3F and D4F) are emerging contaminants whose environmental behavior remains poorly understood. This study investigated their occurrence, bioaccumulation, and elimination in sediments and mollusks collected from 60 sites across 12 coastal cities along Bohai Bay, China. Concentrations in sediments ranged from <LOD to 17.1 ng/g dry weight (dw) with a detection frequency of 30% and a mean of 5.6 ng/g dw. In mollusks, concentrations ranged from <LOD to 20.2 ng/g wet weight (ww) with a detection frequency of 21.7% and a mean of 4.1 ng/g ww. Compared with cyclic dimethylsiloxanes (D4, D5, D6), trifluoropropylmethylsiloxanes exhibited 1–2 orders of magnitude lower concentrations and 1.4–2.2 times lower biota-sediment accumulation factors (BSAF: 0.67 for D3F, 0.61 for D4F). However, from 2017 to 2023, trifluoropropylmethylsiloxanes showed higher annual accumulation rates in sediments (21.5%) and mollusks (32.8%) than dimethylsiloxanes (10.2% and 6.7%, respectively). This discrepancy is attributed to their higher usage growth, stronger sorption (lg KOC: 6.77 for D3F, 8.81 for D4F vs. 4.22–5.99 for D4–D6), and slower elimination in mollusks (half-lives: 11.1 d for D3F, 20.1 d for trans-D4Fa vs. 5.4–8.6 d for D4–D6). The primary degradation product, methyl(3,3,3-trifluoropropyl)silanediol, was detected in sediments (mean 15.7 ng/g dw, detection frequency 33.3%) and mollusks (mean 31.2 ng/g ww, detection frequency 33.3%). Its accumulation rate in mollusks was 1.4 times faster than in sediments, suggesting its potential as an exposure indicator. These findings highlight distinct environmental behaviors of trifluoropropylmethylsiloxanes, necessitating further monitoring and risk assessment.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2025032401

Research Progress on the Pollution Status of Diazepam in Fishery Water Environment and Its Treatment Technology

Diazepam (DZP), a benzodiazepine anxiolytic drug, has been a persistent contaminant in fishery water environments. In China, DZP is classified as a veterinary drug that must not be detected in animal-derived foods, yet it is frequently found in aquatic products, posing significant risks to ecological health and food safety. This review systematically summarizes the current pollution status of DZP in fishery water and its adverse effects on aquatic organisms, emphasizing its persistence in both water and aquatic products. The paper comprehensively examines advances in detection techniques, including gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-tandem mass spectrometry (LC-MS/MS), as well as treatment technologies such as adsorption, photolysis, chemical oxidation, and biodegradation. Critical gaps remain in the integration of these technologies for practical remediation. The review underscores the urgent need for enhanced monitoring and risk assessment of DZP contamination, alongside the development of more efficient and scalable treatment methods. By consolidating current knowledge, this work provides technical support for aquatic organism protection and fishery water management, and serves as a reference for future research and technological innovation in this field.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2025051307

Chemistry and Ionic Sources of Precipitation in the Changsha Area

This study investigates the ionic concentration characteristics and sources of atmospheric precipitation in Changsha, China, based on samples collected from December 2019 to November 2021. The total dissolved solids (TDS) in precipitation ranged from 51.71 to 813.40 μeq·L−1, with a volume-weighted mean (VWM) concentration of 245.58 μeq·L−1. The VWM ionic concentrations followed the order: Ca2+ > SO4^2− > NO3^− > HCO3^− > K+ > Na+ > Cl− > Mg2+. Ca2+ and SO4^2− together accounted for 55.76% of the total ionic mass. Seasonal variation of total ionic concentration was highest in winter and lowest in spring, following the order winter > autumn > summer > spring. Correlation analysis revealed strong positive correlations between SO4^2− and NO3^− (r = 0.78) and between Ca2+ and Mg2+ (r = 0.70), suggesting common sources. Principal component analysis and enrichment factor (EF) analysis indicated that SO4^2− and NO3^− predominantly originated from anthropogenic activities, with contribution rates of 99.5% and 95.4%, respectively, likely from coal combustion and industrial emissions. Ca2+ and K+ were mainly terrestrial, with contribution rates of 99.2% and 98.3%, respectively, from soil and biomass burning. Mg2+ had dual sources: 68.8% terrestrial and 31.2% marine. Cl− exhibited an EFmarine of 0.74 and EFsoil of 50.20, indicating a dominant marine source contributing 98% of its input. These findings provide a scientific basis for understanding regional atmospheric pollution and supporting environmental management strategies.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3966-0

Zn dilution-directed synthesis of Pt nanoclusters on porous nickel-carbon microspheres for hydrogen evolution

The development of low platinum-loading catalysts for the economically viable hydrogen evolution reaction (HER) remains challenging. Herein, a precursor dilution strategy is used to fabricate Pt nanoclusters anchored on Ni-embedded porous carbon microspheres. The approach begins with the facile synthesis of Zn/Ni-based coordination polymers (Ni-BTC-Zn) due to the isomorphic substitution of Zn2+ and Ni2+. During pyrolysis, the evaporation of zinc species results in a highly porous carbon structure with well-dispersed nickel nanoparticles. Subsequent solvothermal treatment allows for the uniform deposition of Pt nanoclusters to form the final bimetallic PtNi catalysts (PtNi-BTC-C). Among them, the optimized PtNi-BTC-C10 exhibits exceptional alkaline HER performance, requiring an overpotential of only 41 mV to achieve 10 mA cm−2 and a low Tafel slope of 31.1 mV dec−1. It also demonstrates outstanding durability with a current retention of 90.7% after 70 h, far exceeding Pt/C. Extensive characterization confirms that moderate Zn dilution optimally modulates the Ni particle size and dispersion, leading to maximized active sites and enhanced charge transfer. Combined with DFT calculations, the Pt-Ni-cluster model for PtNi-BTC-C10 possesses an optimized electronic structure with a shifted d-band center, which facilitates water dissociation and optimizes H* desorption with the most favorable energetics (0.262 eV). This work provides a fundamental understanding of precursor dilution engineering and offers a versatile pathway for designing advanced noble-metal-based bimetallic electrocatalysts.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4011-7

Time-dependent phosphorescence color from P-doped carbon dots for advanced anti-counterfeiting and information encryption

Biomass-derived room-temperature phosphorescence (RTP) carbon dots (CDs) hold great promise for anti-counterfeiting and information encryption. However, achieving solid-state matrix-free long-lived CDs with time-dependent phosphorescence colors (TDPC) remains challenging due to aggregation-induced quenching. Here, solid-state matrix-free RTP phosphorus-doped CDs (P-CDs) are developed via one-step hydrothermal treatment of feather powder and phytic acid. The resulting P-CDs powder exhibits bright blue fluorescence under UV illumination and unprecedented TDPC shifting from yellow to green after UV removal, with afterglow lasting 12 s (average lifetime 1.15 s). Enhanced RTP is attributed to increased triplet-state excitons via spin-orbit coupling induced by P-doping. A dual-mode luminescent ink formulated by combining P-CDs with polyvinyl alcohol (PVA) is successfully applied to commercial A4 paper, showing pronounced TDPC (light-yellow to green) with improved RTP lifetime (1.31 s) after ceasing UV irradiation. The P-CDs/PVA ink demonstrates excellent anti-counterfeiting and information encryption capabilities, outstanding luminescent durability, and broad practicability on cellulosic substrates including fabric and paper. These findings provide a strategy for exploiting matrix-free solid-state RTP P-CDs with distinctive TDPC properties and offer a sustainable route to converting feather wastes into high-value materials.

Journal of Fuel Chemistry and Technology2026DOI: 10.1016/S1872-5813(26)60762-1

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

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.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4029-4

An Insight into Conductive Metal-Organic Frameworks for Chemical Sensing

Chemical sensing technology is pivotal in modern industry and daily life, with sensor performance critically reliant on nanomaterials. While sensors based on traditional nanomaterials, such as inorganic semiconductors and organic conductive polymers, have achieved commercialization, they face persistent challenges. As an emerging subclass, conductive metal-organic frameworks (c-MOFs) not only inherit the core advantages of traditional MOFs—high specific surface area, porosity, and tunable composition/structure—but also offer adjustable electrical conductivity, rendering them ideal for sensing applications. This review systematically elucidates the construction and properties of c-MOFs across microscopic crystalline and macroscopic micro-nano structural scales. Special emphasis is placed on the structural design and regulation of c-MOFs for analytical sensing, and the intrinsic structure-performance relationship is clarified to achieve higher sensitivity, selectivity, response speed, and long-term stability, as well as other performance metrics. Finally, we comprehensively summarize the typical applications of c-MOFs-based sensors, covering environmental and safety monitoring, photoelectric detection, and health monitoring and diagnosis. At the same time, the key challenges existing in this field, such as the controllable preparation of high-quality single-crystal materials, the theoretical analysis of intrinsic electrically conductive mechanisms, and the balance between macroscopic material stability and the processing performance of devices, were evaluated. The future research directions should focus on developing new ligands and metal combinations to optimize the band structure, deepening the exploration of the mechanisms of emerging physical effects such as piezoelectricity, and promoting the integration and application of materials in practical scenarios such as flexible electronics and wearable devices.