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Modulation of the octahedral structure and potential superconductivity of La_(3)Ni_(2)O_(7)through strain engineering

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science China(Physics,Mechanics & Astronomy) 2025年第3期68卷 145-152页

作者： Zihao Huo Zhihui Luo Peng Zhang Aiqin Yang Zhengtao Liu Xiangru Tao Zihan Zhang Shumin Guo Qiwen Jiang Wenxuan Chen Dao-Xin Yao Defang Duan Tian Cui Key Laboratory of Material Simulation Methods&Software of Ministry of Education State Key Laboratory of Superhard MaterialsCollege of PhysicsJilin UniversityChangchun130012China Center for Neutron Science and Technology Guangdong Provincial Key Laboratory of Magnetoelectric Physics and DevicesState Key Laboratory of Optoelectronic Materials and TechnologiesSchool of PhysicsSun Yat-sen UniversityGuangzhou510275China MOE Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter Shaanxi Province Key Laboratory of Advanced Functional Materials and Mesoscopic PhysicsSchool of PhysicsXi’an Jiaotong UniversityXi’an710049China Institute of High Pressure Physics School of Physical Science and TechnologyNingbo UniversityNingbo315211China

The recent transport measurements of La_(3)Ni_(2)O_(7)uncovered a“right-triangle”shape of the superconducting dome in the pressure-temperature(P-T)phase *** by this,we perform theoretical first-principles studies of La_(3)Ni_(2)O_(7)with the pressure ranging from 0 to 100 ***,we reveal a pressure dependence of the Ni-d_(z^(2))electron density at the Fermi energy(n_(z)^(E_(F)))that highly coincides with such *** this basis,we further explore the electronic structure under uniaxial *** tracking the stress response of n_(z)^(E_(F)),we propose that superconductivity can be achieved by applying only ~2GPa of compression along the c *** idea is further exemplified from the perspectives of lattice distortion,band structure,Fermi surface and superconducting phase *** also discuss the possible charge modulation under the stress and provide an insight into the relation between nz E Fand the superconducting T_(c)in La_(3)Ni_(2)O_(7)*** study provides new routes to the search of high-T_(c)superconductors in future experiments.

关键词： nickelate superconductors density functional theory strong correlated systems strain engineering

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Blocking thermal runaway propagation in large-format sodium-ion battery system through localized energy release

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Journal of Energy Chemistry 2025年第5期104卷 514-526页

作者： Yongchun Dang Yongchao Yu Zhenpo Wang Peng Liu Xunli Zhou Yongjie Zhao Peipei Qi Fei Xu Lei Li National Engineering Research Center of Electric Vehicles Beijing Co-Innovation Centre for Electric VehiclesBeijing Institute of TechnologyBeijing 100081China Beijing Institute of Technology Chongqing Innovation Center Chongqing 401120China Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China Research Center of Do-Fluoride New Energy Technology Co. Ltd.Jiaozuo 454003HenanChina

Cascading thermal runaway(TR)propagation poses a critical safety concern for large-format sodium-ion battery(SIB)systems because of the heightened risks of fires or ***,effectively suppressing TR propagation without introducing unintended side effects remains a significant ***,we demonstrate a localized energy release method to mitigate TR,by reducing the state of charge(SOC)of cells adjacent to the thermally runaway *** discover that as the SOCs decreased from 100%to 25%,the TR trigger temperature decreased significantly,and the maximum temperature decrease from 367 to 229℃.Meanwhile,the volume of gas decreased to one-third of its original value,while the range of explosion limits significantly *** analysis of the morphology of the debris further confirms that the structural damage is greater at higher SOC ***,an Entropy Weight and Technique for Order Preference by Similarity to an Ideal Solution(EW-TOPSIS)method has been established to assess the safety status of SIBs,showing that the TR possibility is nearly linear with the SOCs,and the TR hazard is exponentially related to the ***,when the SOC of cells adjacent to the TR cell is reduced to 25%,TR can be directly blocked without the need for additional cooling or thermal insulation *** study not only advances the understanding of TR behavior in SIBs but also offers a straightforward approach to mitigating the TR risk in SIB systems.

关键词： Sodium-ion battery Thermal runaway Safety assessment Localized energy release

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Reduced Na-S bond adsorption of WSSe enabling fast reaction kinetics in the sodium-ion battery

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Journal of Energy Chemistry 2025年第3期102卷 609-617页

作者： Ya-Ning Liao Yan-Ling Yang Xiao-Lei Shi Yu Sun Chao-Zheng He Yi Qin Li Zhang Yue-Feng Chen Zhi-Gang Chen School of Materials Science and Engineering Shaanxi Key Laboratory of Green Preparation and Functionalization for Inorganic MaterialsShaanxi University of Science and TechnologyXi’an 710021ShaanxiChina School of Chemistry and Physics ARC Research Hub in Zero-emission Power Generation for Carbon Neutralityand Centre for Materials ScienceQueensland University of TechnologyBrisbaneQueensland 4000Australia College of Engineering and Applied Sciences Jiangsu Key Laboratory of Artificial Functional MaterialsNational Laboratory of Solid-State MicrostructuresCollaborative Innovation Centre of Advanced MicrostructuresNanjing UniversityNanjing 210093JiangsuChina Institute of Environmental and Energy Catalysis School of Materials Science and Chemical EngineeringXi’an Technological UniversityXi’an 710021ShaanxiChina

WS_(2),a two-dimensional layered material,is promising as sodium-ion batteries(SIBs)anode due to its large lnterlamellar spacing and high sodium storage ***,its low electronic conductivity and high Na^(+)adsorption energy hinder reaction *** we demonstrate that substituting Se for part of the S in WS_(2)reduces interlayer Na^(+)adsorption and increases electronic *** on this finding,lamellar WSSe,grown in situ on peanut shell-derived carbon(PSDC/WSSe),is elaborately designed as a highly stable SIB anode with a fast ***/WSSe with carbon matrix and Se substitution simultaneously provides fast electron transport channels and lowered Na^(+)transport barriers(0.22 eV).The PSDC/WSSe anode offers a considerable reversible sodium storage capacity(288.0 mAh g^(-1)after 1000 cycles at 1.0 A g^(-1))and a fast kinetic reaction.A SIB full-cell using a PSDC/WSSe anode and Na_(3)V_(2)(PO_(4))_(3)cathode achieves a 215.4 Wh kg^(-1)high energy density,and successfully powers *** work offers new strategies to lower sodium ion transportation barrier in two-dimensional layered materials.

关键词： Sodium-ion batteries Two-dimensional materials WSSe WS_(2) Peanut shell-derived carbon

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Highly electrically conductive MOF/conducting polymer nanocomposites toward tunable electromagnetic wave absorption

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材料科学技术（英文版） 2025年第2期205卷 258-269页

作者： Xin Wu Peiyuan Kang Yinghan Zhang Haocheng Guo Shuoying Yang Qi Zheng Lianjun Wang Wan Jiang State Key Laboratory for Modification of Chemical Fibers and Polymer Materials & College of Materials Science and Engineering Donghua UniversityShanghai 201620China State Key Laboratory for Modification of Chemical Fibers and Polymer Materials & College of Materials Science and Engineering Donghua UniversityShanghai 201620China Engineering Research Center of Advanced Glasses Manufacturing Technology Ministry of EducationDonghua UniversityShanghai 201620China State Key Laboratory for Modification of Chemical Fibers and Polymer Materials & College of Materials Science and Engineering Donghua UniversityShanghai 201620China Institute of Functional Materials Donghua UniversityShanghai 201620China

Metal-organic frameworks(MOFs)have attracted significant interest as self-templates and precursors for the synthesis of carbon-based composites aimed at electromagnetic wave(EMW)***,the utilization of high-temperature treatments has introduced uncertainties regarding the compositions and microstructures of resulting ***,complete carbonization has led to diminished yields of the produced carbon composites,significantly limiting their practical ***,the exploration of pristine MOF-based EMW absorbers presents an intriguing yet challenging endeavor,primarily due to inherently low electrical *** this study,we showcase the utilization of struc-turally robust Zr-MOFs as scaffolds to build highly conductive Zr-MOF/PPy composites via an inner-outer dual-modification approach,which involves the production of conducting polypyrrole(PPy)both within the confined nanoporous channels and the external surface of Zr-MOFs via post-synthetic *** interconnection of confined PPy and surface-lined PPy together leads to a consecutive and extensive conducting network to the maximum *** therefore entails outstanding conductivity up to～14.3 S cm-1 in Zr-MOF/PPy composites,which is approximately 1-2 orders of magnitude higher than that for conductive MOF nanocomposites constructed from either inner or outer *** from the strong and tunable conduction loss,as well as the induced dielectric polarization originated from the porous structures and MOF-polymer interfaces,Zr-MOF/PPy exhibits excellent microwave attenuation capabilities and a tunable absorption frequency ***,with only 15 wt.％loading,the mini-mum reflection loss(RLmin)can reach up to-67.4 dB,accompanied by an effective absorption bandwidth(EAB)extending to 6.74 ***,the microwave absorption characteristics can be tailored from the C-band to the Ku-band by adjusting the loading of *** work provide

关键词： Conductive mof nanocomposites Electromagnetic wave absorption MOF/conducting polymer Electrical conductivity Zr-MOF/PPy

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Key materials for extreme high-temperature environments: Ultra-high-temperature ceramics and their composites

Extreme Materials

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Extreme Materials 2025年第1期1卷 38-66页

作者： Yuxuan Liu Hui Wang Jianchao Hao Yuan Cheng Shun Dong Ping Hu Wenbo Han Xinghong Zhang National Key Laboratory of Science and Technology on Advanced Composites in Special Environments and Center for Composite Materials and Structures Harbin Institute of Technology Harbin 150001 China

With the advancement of hypersonic vehicles, extreme high temperature environments have imposed increasingly stringent requirements on the performance of thermal protection systems. Consequently, the development of high-performance thermal protection materials capable of withstanding extreme conditions has become a primary focus of current research. Ultra-high temperature ceramics (UHTCs) and their composites, known for their excellent oxidation resistance and ablation performance, are regarded as highly promising non-ablative thermal protection materials. This paper provides a systematic review of recent research progress on UHTC composites in several key areas, including innovations and optimizations in fabrication processes, exploration of toughening strategies and mechanisms, in-depth studies on oxidation and ablation resistance mechanisms, and the development and potential applications of high-entropy ceramics. Furthermore, the paper discusses the practical application prospects of UHTCs and their composites in extreme environments, analyzes the current technical challenges, and proposes future research directions and priorities.

关键词： Extreme environments materials Ultra-high temperature ceramics (UHTCs) Toughening and strengthening Oxidation and ablation Hypersonic vehicles

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Recent progress in metal-organic frameworks(Part Ⅱ—material application)

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science China Chemistry 2025年第5期68卷 1642-1702页

作者： Jiandong Pang Wentao Jiang Xue-Wen Zhang Hao-Long Zhou Yuxiu Sun Wei Gong Bin Wang Fuyin Ma Linwei He Long Chen Qiang Chen He-Qi Zheng Yuanjing Cui Wen-Jie Shi Chao Zhang Mei Wang Yue-Biao Zhang Jie-Peng Zhang Chongli Zhong Yong Cui Shuao Wang Jian-Rong Li Guodong Qian Tong-Bu Lu Huan Pang Xian-He Bu School of Materials Science and Engineering Nankai University School of Physical Science and Technology Shanghai Tech University MOE Key Laboratory of Bioinorganic and Synthetic Chemistry GBRCE for Functional Molecular EngineeringSchool of ChemistryIGCMESun Yat-sen University Department of Chemistry Shantou University School of Chemical Engineering and Technology Tiangong University School of Chemistry and Chemical Engineering Shanghai Jiao Tong University State Key Laboratory of Radiation Medicine and Protection School for Radiological and Interdisciplinary SciencesSoochow University College of Materials Science & Engineering Beijing University of Technology State Key Laboratory of Silicon and Advanced Semiconductor Materials Cyrus Tang Center for Sensor Materials and ApplicationsSchool of Materials Science & EngineeringZhejiang University Institute for New Energy Materials and Low Carbon Technologies School of Materials Science and EngineeringTianjin University of Technology School of Chemistry and Chemical Engineering Yangzhou University

As a class of functional crystalline porous materials, metal-organic frameworks(MOFs) gained rapid development in the past three decades and a large number of MOFs with ordered structures, high surface areas, and functionalized channels have been investigated. MOFs and MOF-derived/composite materials show great potential in many application fields. In this review, we discussed the main applications of MOFs and MOF-derived/composite materials in small molecule storage, separation, luminescence, sensing, multitype catalysis, and energy storage. In addition, challenges and problems in the future research of MOFs-related fields are also discussed.

关键词： metal-organic frameworks storage and separation sensing and detection multitype catalysis energy storage

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Stacking effects on magnetic, vibrational, and optical properties of CrSBr bilayers

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Physical Review B 2025年第12期111卷 125411-125411页

作者： Huicong Li Yali Yang Zhonghao Xia Yateng Wang Jiacheng Wei Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science The State Key Laboratory for Advanced Metals and Materials School of Mathematics and Physics University of Science and Technology Beijing Beijing 100083 China

Layer stacking presents a promising avenue for manipulating the physical properties of two-dimensional materials. The van der Waals layered semiconductor CrSBr, which exhibits A-type antiferromagnetism and a relatively high Néel temperature, has been successfully exfoliated into atomically thin sheets. In this paper, we investigate the structural, lattice dynamical, electronic, magnetic, and optical properties of four distinct stacking structures of CrSBr bilayers using first-principles calculations and Monte Carlo simulations. Our findings show that, though the most energetically favorable bilayer structure retains the stacking pattern of the bulk counterpart, three other high-symmetry stacking structures can be achieved by sliding one of the layers along three distinct directions, with energy cost comparable to that observed in MoS2 bilayer. All these four bilayers exhibit semiconductor behavior with A-type antiferromagnetic ordering, similar to the bulk material, and demonstrate closely aligned Néel temperatures. Moreover, these bilayers exhibit relatively low lattice thermal conductivities, pronounced anisotropy, and a strong dependence on stacking patterns. This behavior is attributed to significant phonon-phonon scattering arising from avoided crossings between acoustic and optical phonons, as well as the presence of flat optical phonon bands in the low-frequency region. While the electronic structures and optical properties of these bilayers show weak dependence on the stacking pattern for antiferromagnetic ordering, they undergo significant changes for ferromagnetic ordering, influencing the band gap, valence and conduction band splitting, and effective mass. Furthermore, we found that antiferromagnetic ordering can transition to ferromagnetic under intense light illumination. Thus, the integration of layer stacking and light illumination offers an effective means to control the heat transfer, magnetic, and optical properties of CrSBr bilayers.

关键词： Layered semiconductors

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Promoting effect of d-band center and in-situ precipitation strategy on sulfur evolution reaction

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Journal of Energy Chemistry 2025年第5期104卷 740-748页

作者： Jun Pu Yun Tan Jiasen Yin Zihan Shen Shoujie Liu Kai Zhang Lei Zhou Yagang Yao Key Laboratory of Functional Molecular Solids Ministry of EducationAnhui Provincial Engineering Laboratory for New-Energy Vehicle Battery Energy-Storage MaterialsCollege of Chemistry and Materials ScienceAnhui Normal UniversityWuhu 241002AnhuiChina National Laboratory of Solid State Microstructures College of Engineering and Applied SciencesJiangsu Key Laboratory of Artificial Functional MaterialsCollaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210093JiangsuChina State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Materials Science and Engineering Anhui UniversityHefei 230601AnhuiChina School of Energy and Power Engineering Jiangsu UniversityZhenjiang 212013JiangsuChina Department of Electrical Engineering Eindhoven University of TechnologyEindhoven MB 5600the Netherlands

The slow conversion of polyphase in lithium-sulfur(Li-S)batteries not only intensifies the shuttle effect of lithium polysulfides(LiPSs),but also causes the continuous accumulation of inactive sulfur species,resulting in rapid capacity attenuation and sluggish dynamic ***,the promoting effect of atomic interface stress on sulfur reaction was investigated via CoFe-CoFe_(2)O_(4)heterogeneous nanosheets with a cavity *** strain force induced by the in-situ precipitation of Co Fe bimetallic alloy in oxide matrix increased the d-band center,which was conducive to the interaction between catalyst and Li *** sulfur cathode based on this two-dimensional(2D)nanosheet design showed an extremely high capacity of 751 mAh g^(-1)at 4 *** with a sulfur loading of 5.55 mg cm^(-2),its area capacity was still as high as 7.15 mAh cm^(-2).Meanwhile,the enhanced stability greatly improved the practical potential of Li-S batteries.

关键词： 2D nanosheets In-situ precipitation Strain effect D-band center Li-S batteries

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Dual‑Donor‑Induced Crystallinity Modulation Enables 19.23% Efficiency Organic Solar Cells

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Nano-Micro Letters 2025年第3期17卷 376-388页

作者： Anhai Liang Yuqing Sun Sein Chung Jiyeong Shin Kangbo Sun Chaofeng Zhu Jingjing Zhao Zhenmin Zhao Yufei Zhong Guangye Zhang Kilwon Cho Zhipeng Kan Center On Nanoenergy Research Institute of Science and Technology for Carbon Peak&NeutralitySchool of Physical Science&TechnologyGuangxi UniversityNanning 530004People’s Republic of China Department of Chemical Engineering Pohang University of Science and TechnologyPohang 37673South Korea College of New Materials and New Energies Shenzhen Technology UniversityShenzhen 518118People’s Republic of China Zhejiang Engineering Research Center for Fabrication and Application of Advanced Photovoltaic Materials School of Materials Science and EngineeringNingboTech UniversityNingbo 315100People’s Republic of China State Key Laboratory of Featured Metal Materials and Life-Cycle Safety for Composite Structures Nanning 530004People’s Republic of China

Trap-assisted charge recombination is one of the primary limitationsof restricting the performance of organic solar cells. However, effectivelyreducing the presence of traps in the photoactive layer remains ***, wide bandgap polymer donor PTzBI-dF is demonstrated as an effectivemodulator for enhancing the crystallinity of the bulk heterojunction active layerscomposed of D18 derivatives blended with Y6, leading to dense and orderedmolecular packings, and thus, improves photoluminescence quenching *** a result, the photovoltaic devices exhibit reduced trap-assisted charge recombinationlosses, achieving an optimized power conversion efficiency of over 19%.Besides the efficiency enhancement, the devices comprised of PTzBI-dF as athird component simultaneously attain decreased current leakage, improved chargecarrier mobilities, and suppressed bimolecular charge recombination, leading toreduced energy losses. The advanced crystalline structures induced by PTzBI-dFand its characteristics, such as well-aligned energy level, and complementaryabsorption spectra, are ascribed to the promising performance *** findings suggest that donor phase engineering is a feasible approach to tuning the molecular packings in the active layer, providingguidelines for designing effective morphology modulators for high-performance organic solar cells.

关键词： Trap-assisted charge recombination Photoluminescence Miscibility Current leakage Power conversion efficiency

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Mechanisms and Mitigation Strategies of Gas Generation in Sodium-Ion Batteries

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Nano-Micro Letters 2025年第8期17卷 17-48页

作者： Xingyan Li Xi Chen Meng Li Haoran Wei Xuming Yang Shenghua Ye Liewu Li Jing Chen Xiangzhong Ren Xiaoping Ouyang Jianhong Liu Xiangtong Meng Jieshan Qiu Biwei Xiao Qianling Zhang Jiangtao Hu Graphene Composite Research Center College of Chemistry and Environmental EngineeringShenzhen UniversityShenzhen 518060People’s Republic of China GRINM(Guangdong)Research Institute for Advanced Materials and Technology Foshan 528051GuangdongPeople’s Republic of China School of Materials Science and Engineering Xiangtan UniversityXiangtan 411105People’s Republic of China College of Chemical Engineering State Key Laboratory of Organic-Inorganic CompositesState Key Laboratory of Chemical Resource EngineeringBeijing University of Chemical TechnologyBeijing 100029People’s Republic of China

The transition to renewable energy sources has elevated the importance of SIBs(SIBs)as cost-effective alternatives to lithium-ion batteries(LIBs)for large-scale energy *** review examines the mechanisms of gas generation in SIBs,identifying sources from cathode materials,anode materials,and electrolytes,which pose safety risks like swelling,leakage,and *** such as CO_(2),H_(2),and O_(2) primarily arise from the instability of cathode materials,side reactions between electrode and electrolyte,and electrolyte decomposition under high temperatures or *** mitigation strategies,encompassing electrolyte design,buffer layer construction,and electrode material optimization,are deliberated ***,subsequent research endeavors should prioritize long-term high-precision gas detection to bolster the safety and performance of SIBs,thereby fortifying their commercial viability and furnishing dependable solutions for large-scale energy storage and electric vehicles.

关键词： Sodium-ion batteries Gas evolution mechanism Inhibition strategies of gas generation High-performance sodium-ion battery roadmap

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