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🏛️ Key Research Academy15 Indexed Works

Peking University

Verified scientific contributions, CAS laboratory outputs, clinical trial papers, and engineering breakthroughs produced by researchers and faculty affiliated with Peking University.

SCIENCE CHINA Materials•2026

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

Authors: Jize Li, Xudong Peng, Renyi Li, Jiaye Li, Wenchao Hu, Hsingkai Chu, Ruiqin Zhong, Xiao Hai

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.

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SCIENCE CHINA Materials•2026

Visualizing the evolution of atomic-scale Cu+ migration path in Cu2-xSe thermoelectric materials by in situ high-resolution neutron diffraction

Authors: Zhongyuan Huang, Taolve Zhang, Weiming Zhu, Hui Fang, Shuankui Li, Rui Wang, Kwanghee Cho, Masato Hagihala, Shuki Torii, Takashi Kamiyama, Ping Miao, Yinguo Xiao

Cu2-xSe is a leading p-type thermoelectric material owing to its phonon-liquid electron-crystal (PLEC) behavior, yet the atomic-scale mechanisms governing Cu+ migration remain unresolved. This study employs in situ high-resolution neutron diffraction coupled with maximum entropy method (MEM) analysis to map the temperature-dependent evolution of Cu+ nuclear density in β-Cu2Se and β-Cu1.95Se. At 398–423 K, intra-tetrahedral Cu 8c ↔ 32f <111> hopping emerges, with isosurface values of 0.505 fm Å-3 for β-Cu2Se and 0.484 fm Å-3 for β-Cu1.95Se. Above 448 K, inter-tetrahedral pathways form via Cu 32f ↔ 32f <100> or 32f ↔ 4b ↔ 32f <111> migration, as revealed by line scans along [1̅11̅] up to 723 K. The presence of Cu vacancies (x = 0.05) alters the onset and connectivity of these pathways, directly impacting phonon scattering and electron transport. These findings establish a structural basis for controlling Cu+ mobility, offering a rational route to mitigate Cu precipitation and enhance zT stability beyond 1.5 at 900 K. The work bridges microstructural dynamics and thermoelectric performance, providing critical guidance for defect engineering in superionic thermoelectrics.

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SCIENCE CHINA Materials•2026

Chiral Inorganic Nanomaterials for Enhanced Oxygen Evolution Reaction

Authors: Linlin Zhou, Xinmei Hou, Yanglong Hou

Oxygen evolution reaction (OER) represents a significant kinetic bottleneck in sustainable energy conversion due to its complex multi-step electron transfer process. Spin manipulation has recently emerged as a promising strategy to overcome traditional catalytic scaling relationships. However, the commonly used ferromagnetic materials or external magnetic fields suffer from practical limitations including material constraints and high energy consumption. The chiral-induced spin selectivity (CISS) effect in chiral inorganic nanomaterials with high stability, conductivity, and exceptional chiroptical properties offers a groundbreaking alternative by enabling spin polarization without the need for external magnetic fields. This review systematically examines the application of chiral inorganic nanomaterials for improving OER efficiency via the CISS effect. The fundamental principles of CISS and its influence on OER kinetics are discussed. Recent experimental advances highlighting the enhanced catalytic performance are analyzed. Future research directions and challenges in leveraging chirality and spin as key design principles for next-generation OER electrocatalysts are highlighted.

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SCIENCE CHINA Materials•2026

An Ionic Hydrogel-Based 3D Force Sensor for Multidimensional Password Input and Enhanced Security

Authors: ZHAO Haoyang, LI Xiaoqin, ZHUANG Xinming, GUO Qikai, ZHANG Min, LI Yang

Flexible tactile sensors are pivotal for human-machine interaction, yet accurate decoupled sensing of three-dimensional (3D) forces and integration into functional systems remain challenging. Here, we present a piezoresistive 3D force sensor based on ionic hydrogels that detects and analyzes multi-directional forces. The sensor exhibits a linear response to normal forces from 1 to 25 N (R²=0.99) and maintains stable sensitivity for shear forces within 0–4 N. By incorporating both force magnitude and direction, the sensor enables multidimensional password input, expanding traditional one-dimensional passwords into numeric, alphabetic, and Morse code formats. Experimental results demonstrate significant potential for enhancing information security. The sensor's simple structure, mature fabrication, and ease of integration with flexible electronics underscore its practicality. This work addresses the bottleneck of unidirectional sensing in conventional flexible pressure sensors, offering a robust solution for multidimensional force acquisition in human-machine interfaces, soft robotics, and biomechanical monitoring.

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SCIENCE CHINA Materials•2026

Side-chain quadruple H-bonds empower self-healing e-skins with ultralow-temperature tolerance

Authors: Wentong Gao, Cheng-Hui Li

Polar exploration demands robotic systems capable of operating at extreme low temperatures, yet existing electronic skins (e-skins) fail due to polymer brittleness and impaired self-healing. Here, we report a supramolecular elastomer strategy that enables highly stretchable, self-healing, and sensitive e-skins functional at −78 °C. The elastomers are based on a poly(dimethylsiloxane) (PDMS) backbone (Tg = −127 °C, Tb = −150 °C) functionalized with kinetically reversible quadruple hydrogen-bonding motifs (2-ureido-4[1H]-pyrimidone, UPy) in side chains (S-UD) or main chains (M-UD). At −78 °C, S-UD elastomers exhibit superior stretchability, with optimized S-U1.2D0.8 achieving elongation at break of ~3257%, 3.4 times that of PDMS controls and exceeding M-U1.2D0.8 (~2474%). Self-healing efficiency after 24 h at −78 °C reaches ~75.9% for S-UD versus ~34.3% for M-UD, with visual scratch disappearance only in S-UD. Density functional theory (DFT) analysis reveals that S-UD possesses more thermodynamically favorable chain convergence, enhancing cryogenic self-healing. The optimized S-UD elastomer serves as an excellent substrate for constructing ultralow-temperature-tolerant e-skins, addressing a critical bottleneck in polar robotics.

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SCIENCE CHINA Materials•2026

Engineering MgAg alloy segregation at grain boundary for enhanced room-temperature n-type Mg3(Sb,Bi)2-based thermoelectrics

Authors: Qing Cao, Jingyi Lyu, Minwen Yang, Minhui Yuan, Jiahao Jiang, Zehao Lin, Zhanpeng Zhao, Jing Shuai, Yanglong Hou

Grain boundary (GB) engineering has emerged as a promising strategy to enhance the near-room-temperature performance of Mg3(Sb,Bi)2-based thermoelectric materials, yet effective control of Mg distribution at GBs remains a significant challenge. Here, we report a novel approach to achieve targeted Mg segregation at GBs through strategic Ag incorporation in Mg3.3Sb0.5Bi1.497Te0.003. Through comprehensive microstructural characterization and first-principles calculations, we demonstrate that Ag preferentially segregates at GBs, forming Mg-rich MgAg alloy phases while maintaining limited solid solubility within the matrix. This unique GB architecture simultaneously optimizes multiple thermoelectric parameters: the Mg-rich GB regions significantly provide efficient carrier transport channels and enhance carrier mobility, while the MgAg phases and lattice disorders effectively scatter phonons without disrupting electron transport. Consequently, the optimized composition (x = 0.01) exhibits a remarkable enhancement in power factor at 300 K and maintains an average ZT of ~1.0 across 300–400 K. The material also demonstrates excellent mechanical properties and thermal stability, making it particularly suitable for near-room-temperature applications. Our findings not only establish an effective strategy for GB engineering in Mg3(Sb,Bi)2 systems but also provide valuable insights into the rational design of high-performance thermoelectric materials through interface modification.

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SCIENCE CHINA Materials•2026

Chiral Inorganic Materials for Asymmetric Catalysis: Mechanistic Origins and Design Principles

Authors: Weiweihe Liu, Tao Yao, Zhifeng Huang

Asymmetric catalysis, which directs a reaction preferentially toward one enantiomer over its non-superimposable mirror image, is crucial for synthesizing chiral molecules with defined stereochemistry. Such selectivity is indispensable in pharmaceuticals, agrochemicals, and advanced materials, where opposite enantiomers often display markedly different properties and functions. Conventional asymmetric catalysis primarily relies on molecular catalysts, yet these often suffer from stability, recovery, and reaction scope, while chiral inorganic catalysts have recently gained attention as robust alternatives capable of tolerating demanding conditions and offer new routes to stereocontrol. In this review, we propose a mechanism-based classification of chiral inorganic catalysts into six categories: chiral ligand-induced catalysis, spin-polarized catalysis through the chiral-induced spin selectivity effect, photoinduced asymmetric catalysis, chiral confinement-driven catalysis, nanozyme-like catalysis, and chiral lattice-induced catalysis. This review shifts the focus from material type to mechanistic origin, enabling a clearer connection between chirality and catalytic function. We suggest that mechanistic understanding will support the rational design of efficient, selective, and long-lasting chiral inorganic catalysts, and open new directions in asymmetric catalysis.

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SCIENCE CHINA Materials•2026

Tailoring 2D Assemblies from Anisotropic Hexagons to Chiral Vortices by Modulating Asymmetric Side Chains in Helical Poly(phenylacetylene) Derivatives

Authors: Xin Zhou, Shuming Kang, Yihan Huang, Xinhua Wan, Jie Zhang

Two-dimensional (2D) materials exhibit excellent electrical, optical, and mechanical properties, yet precise control over chiral 2D materials remains a significant challenge. This work introduces asymmetric side chain engineering to prepare helically grooved poly(3,5-disubstituted phenylacetylene)s (PPAs) and investigates the effect of their asymmetric contour on tailoring 2D nanostructures. Post-polymerization modification of a common platform polymer efficiently produced a series of rigid helical PPAs with varying alkyl side chain lengths while maintaining identical degrees of polymerization and distribution. Increasing side chain asymmetry yielded anisotropic hexagonal platelets with progressively higher aspect ratios, whereas symmetric side chains formed regular 2D hexagonal sheets. Notably, the largest side chain asymmetry generated supramolecular structures with distinct chiral vortices. Computational simulations elucidated different self-assembly mechanisms, revealing that vortex-like assemblies are kinetically stabilized rather than thermodynamically stable. All 2D assemblies exhibited significantly enhanced circularly polarized luminescence (CPL) compared to discrete polymer solutions, with dissymmetry factors (g_lum) reaching as high as 0.1. This work establishes side chain asymmetry as a crucial factor for programming supramolecular chirality and opens new avenues for developing advanced chiroptical materials.

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SCIENCE CHINA Materials•2026

Function block combination in light-driven cholesteric liquid crystal elastomer actuator

Authors: Shuoning Zhang, Jiale Liu, Jianying Zhang, Chang Sun, Yunxiao Ren, Lanying Zhang, Wei Hu, Huai Yang

Nematic liquid crystal elastomers (NLCEs) exhibit excellent mechanical properties and diverse deformation modes, while cholesteric liquid crystal elastomers (CLCEs) as photonic crystals (PCs) possess superior optical performance and intelligent response characteristics. Combining these two elastomers into a monolithic material is a challenging yet promising endeavor. Here, we designed and synthesized a new diselenide-bonded molecule (DSeAc), whose lower bond energy between selenium atoms endows it with excellent bond exchange ability. Consequently, two LCE matrices containing DSeAc molecules can achieve seamless bonding under mild conditions via dynamic diselenide bond exchange. By integrating a CLCE film and an NLCE actuator into a monolithic film, we enable the integration of two functional components, whose functional characteristics can be tailored as required. This function block combination strategy offers a promising pathway for developing smart materials with complex functions, showing great potential in information storage, anti-counterfeiting, and biomimetics.

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Journal of Environmental Engineering Technology•2026

Mechanism of Biochar for Enhancing Volatile Fatty Acids Production during Anaerobic Fermentation of Food Waste

Authors: SHI Fangying, CHEN Jingting, YANG Wanli, XU Qiyong, WANG Ning

This study investigated the effects of biochar on volatile fatty acids (VFAs) production, biogas composition, physicochemical properties of the fermentation broth, and microbial community structure through batch anaerobic fermentation experiments using food waste as the substrate. The results demonstrated that the addition of biochar (1 g/L) significantly enhanced VFAs production, with the total VFAs concentration reaching 2150 mg/L in the biochar group, which was 30.2% higher than that of the control group (1651 mg/L). Acetic acid, propionic acid, and butyric acid were identified as the primary VFAs components. In the fermentation system, biochar exhibited a notable pH-buffering effect, stabilizing the fermentation environment. Additionally, its porous structure adsorbed ions during the fermentation process, resulting in a slightly lower electrical conductivity compared to the control group. Microbial community analysis revealed that biochar addition enriched key acidogenic bacteria, such as Defluviitoga and norank_f__Family_XI, optimizing the microbial community structure, and thereby facilitating organic acid production. In summary, biochar effectively promoted the efficient accumulation of VFAs during anaerobic fermentation of food waste by improving the fermentation microenvironment, enhancing system buffering capacity, and regulating microbial community composition. These findings provide theoretical support for sustainable enhancement of resource utilization of food waste.

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SCIENCE CHINA Materials•2026

Conformational Engineering Overcomes Multi-Mode Degradation in Perovskite Solar Cells

Authors: Keli Wang, Qing Zhao

Perovskite solar cells (PSCs) have achieved certified efficiencies exceeding 27%, rivaling silicon-based technologies, yet their operational stability under real-world conditions remains a critical barrier to commercialization. Exposure to full-spectrum sunlight, particularly ultraviolet (UV) radiation, coupled with diurnal temperature fluctuations and ingress of moisture and oxygen, induces multi-mode degradation pathways, including lattice distortion, defect accumulation, and interfacial strain. Conventional stabilization strategies typically address single degradation routes and rely on static passivation or fixed strain compensation, failing to adapt to the dynamic stress fields arising from thermal expansion-contraction cycles at buried interfaces. Here, we highlight a recent breakthrough by Zhou et al. that introduces a stepwise conformational engineering strategy to design multifunctional molecules capable of simultaneous UV shielding, dynamic strain regulation, and defect passivation. Starting from 1,1-diphenylethylene (DPE), which exhibits intrinsic UV absorption, a flexible octyl alkyl chain is incorporated to yield 1-octyl-2-(1-phenylvinyl)benzene (OPVB). The conformational freedom of the alkyl chain enables reversible thermal expansion and contraction, allowing in situ modulation of interfacial stress. Further functionalization with hydroxyl and carbonyl groups produces diethylamino hydroxybenzoyl hexyl benzoate (DHHB), which integrates all three targeted properties. This molecular design addresses the bottleneck of multi-mode degradation by providing dynamic stress management, UV protection, and defect healing, thereby enhancing device stability and performance. The work establishes a new paradigm for fabricating stable PSCs under realistic operating conditions, with implications for accelerating industrial deployment.

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Environmental Chemistry•2026

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

Authors: LI Jiajie, MU Ling, WU Zhijun, QIU Yanting, WANG Junrui, WEI Ying, LI Chenhui

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.

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SCIENCE CHINA Materials•2026

A Weighted Ensemble Model for Screening Passivation Materials in High-Efficiency Perovskite Solar Cells

Authors: Xinxin Xu, Jiazheng Wang, Qiang Lou, Haibiao Chen, Gehan Amaratunga, Hao Zhang, Jiahao Wu, Maojun Sun, Haocheng Huang, Hang Zhou

The commercialization of perovskite solar cells (PSCs) is hindered by stability issues primarily stemming from interfacial defects. This study employed a machine learning (ML) screening approach and constructed a learnable weighted ensemble model (LWEM) to enhance prediction robustness for identifying effective interface passivation materials. The ML model predicted that an imidazolium salt-based interface modifier, 1-benzyl-3-methylimidazolium tetrafluoroborate (BMT), is suitable for planar n-i-p PSCs. Subsequent experimental results demonstrated that BMT provides synergistic passivation via an 'ion-coordination dual-lock' mechanism that significantly suppresses non-radiative recombination, facilitates hole extraction, and improves the quality of the perovskite film. The BMT-modified devices achieve a significant increase in power conversion efficiency (PCE) from 22.45% to 24.89% under AM 1.5G illumination, and attain a high PCE of 41.31% under 1000 lux light emitting diode (LED) indoor lighting. Additionally, the modified devices exhibit outstanding stability under long-term storage and maximum power point tracking conditions. This work provides a strategy for developing high-performance and highly stable PSCs for both indoor and outdoor applications.

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SCIENCE CHINA Materials•2026

A Critical Artifact in Aqueous Zinc-Ion Batteries: Charging under Aerial Oxidation Distorts Discharged-Cathode Characterization

Authors: ZHU Xinyu, SHANG Ziyun, LI Chi, HUANG Huijie, WANG Qingbo, WANG Shiyu, ZHONG Hongxia, WANG Hai

Aqueous zinc-ion batteries (AZIBs) are promising for safe, low-cost energy storage, but accurate cathode characterization is essential for understanding their electrochemical behavior. This study identifies a critical artifact: routine air-drying of deeply discharged cathodes triggers spontaneous aerial oxidation, which distorts post-mortem analysis. Using NH4V4O10 (NVO) as a model cathode, we show that ex situ X-ray photoelectron spectroscopy (XPS) of discharged electrodes reveals only V4+/V5+ signals, with no detectable V3+, implying a theoretical capacity of only 245.5 mAh g−1, yet experimentally measured capacity reaches ~334.5 mAh g−1 at 0.2 A g−1. This discrepancy arises because air exposure during sample preparation oxidizes the reduced vanadium states, leading to a self-charging effect that recovers ~83% of capacity. Electrochemical re-oxidation (EO-NVO) is superior to aerial oxidation (AO-NVO), producing a stable, long-range ordered bulk structure with efficient Zn2+ transport channels, whereas aerial oxidation induces only superficial changes and structural disorder. These findings resolve a key analytical inconsistency and reveal a novel capacity-contribution pathway, with direct implications for accurate material assessment and advanced battery design.

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SCIENCE CHINA Materials•2026

Correction to: Intrinsic Pseudocapacitive Na0.44MnO2 Prepared by Novel Ion-Exchange Method for High Rate and Robust Sodium-Ion Batteries

Authors: Yuge Cao, Meijing Xiao, Wujie Dong, Tianxun Cai, Hui Bi, Fuqiang Huang

This correction addresses an error in the affiliations of the authors of the article 'Intrinsic pseudocapacitive Na0.44MnO2 prepared by novel ion-exchange method for high rate and robust sodium-ion batteries' originally published in Science China Materials, volume 66, issue 10, 2023, pages 3810–3816. In the original publication, one affiliation of the first author (Yuge Cao) was missing, and the affiliations of the authors were incorrectly labeled. The corrected affiliations are as follows: Yuge Cao is affiliated with the State Key Laboratory of High-Performance Ceramics and Superfine Microstructures, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China; the Beijing National Laboratory for Molecular Sciences and State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China; and the Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China. The other authors' affiliations are also corrected accordingly. The corresponding authors are Hui Bi ([email protected]) and Fuqiang Huang ([email protected]). This correction does not affect the scientific content of the original article.

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