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Verified CAS / Academic Author15 Decoded Studies

Prof. Xueli Ye

National Institute of Clean and Low-Carbon Energy, Beijing 102209, China

Co-Affiliations:Chinese Academy of SciencesNot specified in the provided text

Research Publications & English Decoded Briefs

Showing 15 publications
SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4362-y

Precision design of asymmetric cobalt single-atom catalysts for high-performance zinc-air batteries

The commercial viability of zinc-air batteries (ZABs) is constrained by the sluggish kinetics of the oxygen reduction reaction (ORR), which necessitates robust, cost-effective catalysts. While cobalt-based single-atom catalysts (Co SACs) exhibit superior selectivity and stability relative to Fe-N-C counterparts, their intrinsic ORR activity remains limited by scaling relations among intermediates. This study alleviates these constraints by precisely engineering the coordination symmetry of Co SACs. Through a mild annealing strategy, boron was incorporated into the first and second coordination shells of Co centers, creating an asymmetric Co-N3B-O local environment. The first-shell B/O coordination modulates the electronic structure of the Co center, while hydrogen bonding between *OOH and the coordinated O atom stabilizes the key intermediate, synergistically enhancing ORR activity. The optimized Co-BCN-950 catalyst delivers a peak power density of 216 mW cm-2 in ZABs, a 43% enhancement over commercial Pt/C (151 mW cm-2), alongside an open-circuit voltage of 1.43 V and a specific capacity of 790 mAh g-1. These findings establish a paradigm for tailoring the local coordination of SACs, enabling next-generation high-stability energy storage systems.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4213-x

Bioelectric Responsive Nanozymes for Catalytic Control of Lipid Peroxyl Radicals

Lipid peroxyl radicals (ROO·) are terminal propagating species in lipid peroxidation, driving oxidative damage in neurological disorders. Their prolonged lifetime and rapid diffusion within lipid membranes render them difficult to neutralize. Here, we report a bioelectric-responsive TEMPO-doped polydopamine (PDA@TEMPO) nanozyme that sustains catalytic interception of ROO· radicals under persistent oxidative stress. By coupling a PDA redox reservoir with TEMPO catalytic centers, the nanozyme establishes a self-regenerating radical-neutralization cycle via proton-coupled electron transfer (PCET). The π-conjugated framework facilitates charge migration and enables an electric-field-enhanced antioxidant response. In a seizure model, the nanozyme dynamically responds to bioelectric fluctuations, accelerating radical interception and alleviating oxidative stress in neural microenvironments. These findings establish bioelectric-coupled nanozymes as a general strategy for catalytic and sustained regulation of oxidative stress in neural microenvironments, providing a potential therapeutic approach for neurological disorders.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3602-1

Low-Temperature-Resilient Polymer Electrolytes for High-Performance Quasi-Solid Lithium Batteries

Solid-state lithium batteries (SSLBs) are promising next-generation energy storage systems due to their high safety and energy density. However, poor low-temperature performance of solid-state electrolytes remains a critical challenge. Here, we present a facile and scalable approach for synthesizing a low-temperature-resilient polymer electrolyte based on ethylene-vinyl acetate (EVA), leveraging its unique molecular structure for enhanced lithium-ion transport. The EVA polymer electrolyte (EPE) demonstrates a high ionic conductivity of 5.13×10−4 S cm−1 at room temperature and retains a remarkable conductivity of 2.72×10−5 S cm−1 at −40 °C. This superior performance is attributed to the synergistic interaction between the ester functional groups of EVA and lithium salts, which reduces the ion dissociation energy barrier and facilitates efficient ion migration. The EPE enables stable lithium plating/stripping cycling for over 3000 h at −40 °C and supports long-term cycling of LiFePO4-based full cells at −40 °C for over 900 cycles. This work highlights the potential of cost-effective, scalable EPEs for next-generation SSLBs, particularly in extreme environmental conditions.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3761-7

Ruthenium-Based Electrocatalysts for Electrochemical Water Splitting: A Review of Fundamentals, Synthesis, and Enhancement Strategies

Ruthenium-based materials, including metallic Ru and RuO2, are promising electrocatalysts for electrochemical water splitting (EWS) due to their high activity for both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). However, their practical application is hindered by the relatively strong adsorption of reaction intermediates on Ru surfaces and the oxidative dissolution of RuO2 under operating conditions. This review provides a comprehensive overview of recent progress and challenges in Ru-based electrocatalysts for EWS. We first summarize the fundamentals of EWS, including reaction mechanisms and activity descriptors. Then, we detail typical synthesis methods such as hydrothermal/solvothermal syntheses, organic ligand-assisted syntheses, pyrolysis, acid etching, cation exchange, and molten salt-assisted syntheses. Subsequently, we focus on enhancement strategies, including alloying, doping, structure design, interface engineering, single-atom catalyst design, high-entropy alloy design, phase engineering, and defect engineering, with typical examples illustrating structure-property correlations. Finally, we address remaining challenges and future prospects for the development of efficient and durable Ru-based electrocatalysts for sustainable hydrogen production.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3757-2

Full-space built-in electric field inside gradient Sn-doped β-Ga2O3 photoanodes for enhanced photoelectrochemical solar-blind UV photodetection

β-Ga2O3 is a promising candidate for solar-blind ultraviolet photodetection owing to its suitable bandgap of approximately 4.9 eV, excellent photoresponse characteristics, and high stability. However, the lack of a sufficient driving force within the material leads to extensive bulk charge recombination, limiting its photocurrent and thus posing significant challenges in designing high-performance Ga2O3-based photodetection. In this study, we propose a gradient doping strategy to achieve a Sn-doping concentration gradient along the β-Ga2O3 film thickness. By combining sol–gel synthesis with rapid thermal annealing, a spatially graded band structure with a full-space built-in electric field is constructed, which increases the width of band bending over a large region and is crucial for significantly enhancing carrier separation and transport in the bulk. The resulting gradient Sn-doped β-Ga2O3 enables exceptional photoelectric performance without an external bias under 254 nm irradiation, including a superior responsivity of 66.88 mA W−1, a high detectivity of 8.12 × 10^11 Jones, and a fast rise/decay time of 79/65 ms, outstanding most existing similar reported photoelectrochemical (PEC) type optoelectronic devices. Additionally, the device exhibits excellent long-term stability and enables high-resolution underwater ultraviolet imaging. This study demonstrates that the gradient doping strategy provides a feasible approach for enhancing the PEC performance of β-Ga2O3 photoelectrodes.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3788-9

Stable δ-FA(Cs)PbI3 Intermediate Enables Fabrication of Large-Area Perovskite Solar Modules in Ambient Air

Fabrication of large-area perovskite solar modules under ambient air conditions remains a critical challenge due to air sensitivity of perovskite intermediate phases during crystallization. Here, we introduce 2-iodoimidazole (IIZ) into the perovskite precursor, enabling the formation of an air-stable pure δ-phase intermediate, which, upon annealing, fully transforms into a highly oriented α-phase perovskite film with reduced defects and variability. Leveraging this approach, we achieve a stabilized power conversion efficiency of 20.9% for 927.5 cm2 perovskite solar modules with high reproducibility. The encapsulated modules meet stringent international photovoltaic testing standards (IEC61215:2021), demonstrating excellent stability under continuous operation, thermal cycling (−40 to 85 °C) and damp heat (85 °C and 85% relative humidity).

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)61102-X

Improving the porous carbon matrix to suppress the formation of surface silicon for improved cycling stability

Silicon-carbon composites prepared by chemical vapor deposition (CVD) are promising anode materials for high-energy-density lithium-ion batteries. However, the influence of the pore structure of the porous carbon (PC) carrier on silicon deposition behavior, and the impact of surface silicon on cycling stability, remain unclear. This study systematically investigates these effects using nitrogen adsorption-desorption analysis, X-ray photoelectron spectroscopy, and thermogravimetric analysis. Porous carbons with varying pore architectures were synthesized by adjusting KOH activator ratios. Results show that increased micropore volume facilitates higher silicon mass loading, but also elevates the content of surface floating silicon due to greater silane exposure. Moderately increasing mesopores in high-microporosity carbon promotes deeper silicon deposition, reducing surface floating silicon. Excessive surface floating silicon hinders lithium-ion diffusion kinetics, leading to accumulation of active lithium, accelerated SEI growth, and electrode degradation. Electrochemical testing reveals that the optimized silicon-carbon composite maintains a high specific capacity of 693.1 mAh/g after 150 cycles at 0.5 C (900 mA/g). This work provides new insights into the development and failure mechanisms of CVD-derived silicon-carbon composite anodes, emphasizing the critical role of pore structure in mitigating surface silicon and enhancing cycling stability.

Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202508052

Numerical Simulation of the Performance of a Channel-Steel Baffle-Type Pre-Dust Collector for Biomass Boiler Flue Gas

To improve the performance of pre-dust collectors in biomass boiler flue gas purification systems, a novel channel-steel baffle-type pre-dust collector was proposed to address the low collection efficiency of conventional designs. A gas-solid two-phase flow model was developed within the MP-PIC (multiphase particle-in-cell) framework and validated against physical experiments. The model simulated gas-particle motion inside the collector, systematically investigating the effects of structural modifications, flue gas conditions, and dust properties on collection efficiency and pressure drop. Results indicate that adding a flow baffle in the ash hopper and adopting an upper-inlet flue duct enhance collection efficiency with negligible impact on pressure drop. Flue gas velocity significantly influences performance: increasing velocity reduces efficiency while raising pressure drop; an optimal design velocity of 1.0–2.0 m·s−1 is recommended. Elevated flue gas temperature slightly decreases both efficiency and pressure drop, with minimal impact over a range of tens of degrees Celsius. Higher dust density and larger particle size improve collection efficiency and reduce pressure drop, whereas higher dust concentration increases both efficiency and pressure drop. The study elucidates the mechanisms by which structural and operational parameters affect pre-dust collector performance, providing theoretical guidance for designing low-resistance, high-efficiency collectors for biomass boilers.

Journal of Fuel Chemistry and Technology2026DOI: 10.1016/S1872-5813(25)60611-6

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

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

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-3787-x

Collapsed nanomineral inducing oxidation-enhanced photoacoustic mechanical damage for elimination of solid tumor

Circumventing the tumor's defensive antioxidant system and achieving precision cancer therapy remain major challenges in high-efficacy tumor treatments. Here, we propose a synergistic strategy integrating non-oxidative physical ablation and oxidative chemical intervention. An acid-responsive self-collapsing nanomineral PCSB is constructed, comprising poly(acrylic acid)-modified calcium sulfite (CaSO3) and a pH-responsive photoacoustic (PA) therapeutic molecule, aza-BDP. In the tumor acidic microenvironment, PCSB decomposes, releasing PA agents and SO2/Ca2+, thereby enabling combined non-oxidative mechanical damage from PA therapy and oxidative chemical damage from SO2 gas and Ca2+ ions. This dual-action approach effectively reduces resistance conferred by tumor antioxidant mechanisms and improves treatment precision. The study presents a synergistic physical-chemical strategy with significant potential for solid tumor elimination.

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.

Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202511054

S-scheme Bi6O5(OH)3(NO3)5·3H2O/BiOBr0.8I0.2 Heterojunction Photocatalyst: Synthesis and Visible-Light Degradation Mechanism of Rhodamine B

A novel S-scheme heterojunction photocatalyst, Bi6O5(OH)3(NO3)5·3H2O/BiOBr0.8I0.2 (BON@BI), was synthesized via a one-step hydrothermal method using Bi6O5(OH)3(NO3)5·3H2O (BON), KBr, and KI as precursors. The mass ratio of BON to BiOBr0.8I0.2 (BI) was optimized, revealing that the 20% BON@BI composite (BON@BIOPT) exhibited the highest visible-light photocatalytic activity. Under 30 min of visible-light irradiation, BON@BIOPT achieved a 99.8% degradation efficiency of Rhodamine B (RhB), approximately twice that of pristine BI (52.2%). The composite displayed a rod-like morphology with uniform nanosheets, and its specific surface area increased from 32.54 m²·g⁻¹ (BI) to 44.7 m²·g⁻¹. The absorption edge red-shifted from 560 nm (BI) to 580 nm, narrowing the bandgap from 2.55 eV to 2.43 eV. The S-scheme heterojunction formed between BON and BI generates an internal electric field that effectively suppresses recombination of strongly reducing photogenerated electrons and strongly oxidizing holes, with superoxide radicals (O₂•⁻) and holes (h⁺) identified as the primary reactive species. BON@BIOPT exhibited excellent stability, retaining 88.6% degradation efficiency after seven consecutive cycles. It also demonstrated robust environmental adaptability, maintaining 85–98% degradation efficiency under various pH conditions and in the presence of interfering anions. The degradation pathway of RhB involves N-de-ethylation, cleavage of the conjugated chromophore, and deamination, ultimately mineralizing into low-molecular-weight organics, inorganic salts, CO₂, and H₂O. These results underscore the potential of BON@BIOPT for practical remediation of organic pollutants in water.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4039-1

Inhibition of Residual Kynurenine Pathway Activity Boosts Antitumor Immune Responses

Immunosuppressive metabolites are major drivers of tumor immune suppression. Among these, kynurenine (Kyn) is produced through the catalysis of tryptophan (Trp) 2,3-dioxygenase (TDO) in hepatocellular carcinoma. However, TDO inhibition alone is often insufficient because residual pathway flux sustains the accumulation of the downstream immunosuppressive metabolite quinolinic acid (QA). Here, we propose a strategy to disrupt residual kynurenine pathway activity to enhance metabolism-driven tumor immunotherapy. We develop acid-responsive metal-organic complex nanoparticles (APAP@TDOi-Zn, ATZn) that integrate the TDO inhibitor (TDOi) and Zn2+, while encapsulating acetaminophen (APAP) to inhibit 3-hydroxyanthranilate 3,4-dioxygenase (HAAO), thereby limiting QA production and simultaneously suppressing the residual immunosuppressive metabolite. QA suppression limits M2 macrophage polarization, whereas Kyn inhibition and Zn2+ supplementation promote T cell proliferation and cytotoxicity. Consequently, ATZn rewires Trp-Kyn metabolism and augments antitumor immunotherapy. This work enhances the efficacy of metabolic checkpoint blockade and provides a strategy to overcome metabolism-driven immune resistance.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-025-4024-1

Self-assembled theranostic nanoplatform-mediated calcium-overload for enhanced sonodynamic therapy

Sonodynamic therapy (SDT) faces limited efficacy due to robust antioxidant systems in tumors that scavenge reactive oxygen species (ROS). To overcome this, we developed a pH/ultrasound-responsive theranostic nanoplatform, Mn-CaCO3@NGQDs/PAA, via self-assembly of nitrogen-doped graphene quantum dots (NGQDs), Mn-doped CaCO3, and polyacrylic acid (PAA). This platform synergistically combines SDT with calcium overload. Under ultrasound irradiation, it generates abundant singlet oxygen (1O2), while the acidic tumor microenvironment triggers sustained Ca2+ release, inducing calcium overload. The combined effects amplify oxidative stress, suppressing tumor growth. Additionally, the nanoplatform exhibits dual-mode T1/T2-weighted magnetic resonance imaging (MRI) performance, enabling tumor localization. In vivo studies demonstrated significant tumor inhibition and apoptosis, with no notable toxicity. This integrated strategy maximizes therapeutic efficacy, offering a promising approach for enhanced tumor therapy.