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Prediction of stable high-pressure structures of tantalum nitride TaN2

Journal of materials Science & technology 2019年第10期35卷 2297-2304页

作者： Wandong Xing Zijie Wei Rong Yu Fanyan Meng Department of Physics University of Science and Technology BeijingBeijing Engineering Research Center of Detection and Application for Weak Magnetic FieldBeijing100083China School of Automation University of Science and Technology BeijingBeijing100083China National Center for Electron Microscopy in Beijing School of Materials Science and EngineeringKey Laboratory of Advanced Materials of Ministry of Education of ChinaState Key Laboratory of New Ceramics and Fine ProcessingTsinghua UniversityBeijing100084China

Structure searches based on a combination of first-principles calculations and a particle swarm optimization technique unravel two new stable high-pressure structures(C2/m and Cmce) for Ta N2. The structural features, mechanical properties, formation enthalpies, electronic structure, and phase diagram of Ta N2 are fully investigated. Being mechanically and dynamically stable, the two phases could be made metastable experimentally at ambient conditions.

关键词： Particle swarm optimization First-principles Tantalum nitride Crystal structure High pressure

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Large-scale current collectors for regulating heat transfer and enhancing battery safety

Nature Chemical Engineering

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Nature Chemical Engineering 2024年 542-551页

作者： Lun Li Huazhang Zhang Xin Zhao Daping He Wei Shu Zixin Zhang Yu Zhao Xingchuan Li Zongkui Kou Yong Xiao Francis Verpoort Liqiang Mai Jinlong Yang Rui Tan CheeTong John Low Cheng Li Yajun Zhang Hewu Wang Hubei Engineering Research Center of RF-Microwave Technology and Application School of Physics and Mechanics Wuhan University of Technology Wuhan China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing State Key Laboratory of Silicate Materials for Architectures School of Materials Science and Engineering Wuhan University of Technology Wuhan China Guangdong Provincial Key Laboratory of New Energy Materials Service Safety College of Materials Science and Engineering Shenzhen University Shenzhen China Department of Chemical Engineering Swansea University Swansea UK Warwick Electrochemical Engineering Group WMG Energy Innovation Centre University of Warwick Warwick UK School of Vehicle and Mobility Tsinghua University Beijing China

Thermal runaway, a major battery safety issue, is triggered when the local temperature exceeds a threshold value resulting from slower heat dissipation relative to heat generation inside the cell. However, improving internal heat transfer is challenged by the low thermal conductivity of metal current collectors (CCs) and challenges in manufacturing nonmetal CC foils at large scales. Here we report a rapid temperature-responsive nonmetallic CC that can substitute benchmark Al and Cu foils to enhance battery safety. The nonmetallic CC was fabricated through a continuous thermal pressing process to afford a highly oriented Gr foil on a hundred-meter scale. This Gr foil demonstrates a high thermal conductivity of 1,400.8 W m−1K−1, about one order of magnitude higher than those of Al and Cu foils. Importantly, LiNi0.8Co0.1Mn0.1O2||graphite cells integrated with these temperature-responsive foils show faster heat dissipation, eliminating the local heat concentration and circumventing the fast exothermic aluminothermic and hydrogen-evolution reactions, which are critical factors causing the thermal failure propagation of lithium-ion battery packs.

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Corrigendum to "Fabrication and preliminary evaluation of a biomimetic bi-oriented tubular graft based on heparinized bacterial cellulose/chitosan for vascular tissue engineering" [Mater. Today Commun. 44 (2025) 111910](materials Today Communications (2025) 44, (S2352492825004222), (10.1016/***.2025.111910))

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materials Today Communications 2025年 44卷

作者： Liu, Li Liu, Mengxuan Qi, Fuyu Li, Basen Li, Xiaohong Hu, Ke Yang, Guang Innovation Centre for Science and Technology Affiliated Hospital of North Sichuan Medical College Nanchong637000 China Department of Biomedical Engineering College of Life Science and Technology Huazhong University of Science and Technology Wuhan430074 China Department of Radiology Tongji Hospital Tongji Medical College Huazhong University of Science and Technology Wuhan430030 China State Key Laboratory of New Textile Materials and Advanced Processing Wuhan Textile University Wuhan430200 China Department of Vascular Surgery Union Hospital Tongji Medical College Huazhong University of Science and Technology Wuhan430030 China

The authors regret the authors'name"Mengheng Liu" was incorrectly spelt. The correct name should be "Mengxuan Liu". The authors would like to apologise for any inconvenience caused. © 2025 Elsevier Ltd

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Fabrication and application of binder-free cathodes in high-performance lithium-chalcogen (S, Se, Te) batteries: A review

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Chinese Chemical Letters 2024年

作者： Jing Liu Fei Wang Huijie Wei Yong Liu Xiaoliang Zhai Sifan Wen Qiaobao Zhang School of Materials Science and Engineering Provincial and Ministerial Co-construction of Collaborative Innovation Center for Non-ferrous Metal new Materials and Advanced Processing Technology Henan University of Science and Technology Luoyang 471023 China Faculty of Engineering Huanghe Science & Technology University Zhengzhou 450063 China State Key Laboratory of Physical Chemistry of Solid Surfaces College of Materials Xiamen University Xiamen 361005 China Longmen Laboratory Luoyang 471023 China

advanced lithium-chalcogen (S, Se, Te) batteries (LCBs) are among the most promising candidates for next generation energy storage systems because of their high energy density and theoretical capacities. However, they are still facing many challenges, such as expansion of the volume problems of chalcogen elements, the shuttle effect of intermediate products, low Coulombic efficiency and inferior cycling stability, which seriously hinder their commercial applications. The presence of a binder in the cathode causes an uneven distribution of the active substances, and also occupies a part of the electrode's volume, resulting in the unsatisfactory energy density of LCBs. In this regard, binder-free electrodes which do not need binders, conductive materials and even collectors, can be used as electrodes for flexible batteries, effectively solving the above-mentioned problems. In this review, the main methods of fabricating binder-free cathodes and their advantages and disadvantages are discussed. Furthermore, a review of representative works on binder-free cathodes for high-performance LCBs over the last decade is presented. The main binder-free electrode materials include paper cloth (PC), graphene oxide (GO), carbon nanotubes (CNTs), carbon nanofibers (CNFs), carbon cloth (CC), polymers, metallic compounds, and their composites. In addition, we discuss these works from four aspects: advanced structures, methods of fabrication, electrochemical performance and the potential mechanism of binder-free cathode materials, providing important guidance for further researches. Finally, we propose the current challenges of binder-free LCBs and look forward to breakthroughs in this field through the use of binder-free electrodes.

关键词： Binder-free cathode Flexible Lithium-chalcogen batteries Li-S batteries Electrochemical performance

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Ultra-wideband electrostrictive mechanical antenna

arXiv

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arXiv 2021年

作者： Xu, Jianchun Li, Zhao Pan, Xuchao Wen, Xi Cao, Jinqing Gong, Wen Yang, Shaolong Lei, Ming Yao, Fangzhou Bi, Ke State Key Laboratory of Information Photonics and Optical Communications School of Electronic Engineering School of Science Beijing University of Posts and Telecommunications Beijing100876 China State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and Engineering Tsinghua University Beijing100084 China School of Mechanical Engineering Nanjing University of Science and Technology Nanjing210094 China Research Center of Advanced Functional Ceramic Materials Wuzhen Laboratory Jiaxing314500 China Center of Advanced Ceramic Materials and Devices Yangtze Delta Region Institute Tsinghua University Zhejiang314006 China

Conventional mechanical antennas provide a strategy in long-wave communication with a surprisingly compact size below 1/1,000 of the wavelength. However, the narrow bandwidth and weak field intensity seriously hamper its practical applications. Here, we present a mechanical antenna based on the electrostrictive effect of PMN-PT-based relaxor ferroelectric ceramic to improve radiation capacity and achieve ultra-wideband characteristics (10 kHz - 1 MHz, the relative bandwidth is beyond 196%). Determined by the different underlying mechanism, the mechanical antenna based on the electrostrictive effect exhibits excellent communication properties from traditional mechanical antennas. The functions of signal coding, transmitting, receiving, and decoding were experimentally demonstrated. This approach offers a promising way of constructing mechanical antennas for long-wave communication. Copyright © 2021, The Authors. All rights reserved.

关键词： Antennas

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A High-Energy NASICON-Type Na3.2MnTi0.8V0.2(PO4)3Cathode Material with Reversible 3.2-Electron Redox Reaction for Sodium-Ion Batteries

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Angewandte Chemie 2023年第14期135卷

作者： Dr. Ping Hu Dr. Ting Zhu Congcong Cai Dr. Xuanpeng Wang Dr. Lei Zhang Prof. Liqiang Mai Prof. Liang Zhou Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Xianhu Hydrogen Valley Foshan 528200 P. R. China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 P. R. China Key Laboratory of Textile Fiber and Products Ministry of Education Hubei International Scientific and Technological Cooperation Base of Intelligent Textile Materials & Application Wuhan Textile University Wuhan 430200 China Department of Physical Science & Technology School of Science Wuhan University of Technology Luoshi Road 122 Wuhan 430070 P. R. China Hubei Longzhong Laboratory Wuhan University of Technology (Xiangyang Demonstration Zone) Xiangyang 441000 Hubei China

Na superionic conductor (NASICON) structured cathode materials with robust structural stability and large Na + diffusion channels have aroused great interest in sodium-ion batteries (SIBs). However, most of NASICON-type cathode materials exhibit redox reaction of no more than three electrons per formula, which strictly limits capacity and energy density. Herein, a series of NASICON-type Na 3+ x MnTi 1− x V x (PO 4 ) 3 cathode materials are designed, which demonstrate not only a multi-electron reaction but also high voltage platform. With five redox couples from V 5+/4+ (≈4.1 V), Mn 4+/3+ (≈4.0 V), Mn 3+/2+ (≈3.6 V), V 4+/3+ (≈3.4 V), and Ti 4+/3+ (≈2.1 V), the optimized material, Na 3.2 MnTi 0.8 V 0.2 (PO 4 ) 3 , realizes a reversible 3.2-electron redox reaction, enabling a high discharge capacity (172.5 mAh g −1 ) and an ultrahigh energy density (527.2 Wh kg −1 ). This work sheds light on the rational construction of NASICON-type cathode materials with multi-electron redox reaction for high-energy SIBs.

关键词： Cathode Material Multi-Electron Redox Reaction NASICON Structure Na3+xMnTi1−xVx(PO4)3 Sodium-Ion Batteries

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Green synthetic PPy/MXene-based cotton fabric hydrovolt generators for self-powered wearables

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International Journal of Biological Macromolecules 2025年 311卷 143651页

作者： Zhang, Xiaoyang Zhang, Xuefei Ren, Hai-Tao Li, Ting-Ting Lou, Ching-Wen School of Textile Science and Engineering Tiangong University Tianjin300387 China State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and Engineering Tsinghua University Beijing100084 China Tianjin and Ministry of Education Key Laboratory for Advanced Textile Composite Materials Tiangong University Tianjin300387 China Shaoxing keqiao Institute of Tiangong University Shaoxing3 12030 China Department of Bioinformatics and Medical Engineering Asia University Taichung413305 Taiwan Department of Medical Research China Medical University Hospital China Medical University Taichung City404333 Taiwan

Harvesting energy from naturally abundant water resources is expected to alleviate the need for the current energy shortage. However, existing studies rarely consider the effect of capacitors on the output of hydropower generation. Here, inspired by capacitors, we prepared a flexible and efficient hydrovoltaic generator by loading polypyrrole (PPy) and Ti3C2Tx MXene onto cotton fabrics by a simple green one-step synthesis method with self-assembly. Specifically, the ionic imbalance at the interface can be exacerbated by the use of expanded capacitance, while synergistically the two materials PPy/MXene will adsorb different ions, which promotes efficient adsorption of ions and ensures energy conversion. This generator can produce an open-circuit voltage (VOC) of 0.35 V and a short-circuit current (ISC) of ~260 μA in just 5 mL of a 3.5 wt% NaCl solution, and the optimized device can achieve an output power of 35.76 μW. Furthermore, this capacitance-enhanced fabric-based hydrovolt generator can directly power electronic devices and demonstrates its potential future applications in practical applications such as respiratory monitoring and touch sensing. © 2025

关键词： Fabrics

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Hydrogen/Electron Amphiphilic Bi-Functional Water Molecular Inactivator-Assisted Interface Stabilization in Highly Reversible Zn Metal Batteries

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Angewandte Chemie 2024年第7期137卷

作者： Wenwei Zhang Dr. Shaohua Zhu Tong Yang Lu Wu Jinghao Li Jiang Liang Dr. Yu Liu Lianmeng Cui Chen Tang Xinran Chen Huiqing Zhou Fan Qiao Min Zhou Prof. Ping Luo Fengtong Chi Dr. Xiaobin Liao Prof. Lei Zhang Prof. Qinyou An State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China The State Key Laboratory of Refractories and Metallurgy and Institute of Advanced Materials and Nanotechnology Wuhan University of Science and Technology Wuhan 430081 China School of Chemistry and Chemical Engineering Shanghai Jiao Tong University 800 Dongchuan Road Shanghai 200240 China School of Materials and Chemical Engineering Hubei University of Technology Wuhan 430068 China Hubei Longzhong Laboratory Wuhan University of Technology (Xiangyang Demonstration Zone) Xiangyang Hubei 441000 China Zhongyu Feima New Material Technology Innovation Center (Zhengzhou) Co. Ltd. High Technology Industrial Development Zone Zhengzhou 450001 China

Continuous hydrogen-bond-network in aqueous electrolytes can lead to uncontrollable hydrogen transfer, and combining the interfacial parasitic electron consumption cause the side reaction in aqueous zinc metal batteries (AZMBs). Herein, hydrogen/electron amphiphilic bi-functional 1,5-Pentanediol (PD) molecule was introduced to stabilize the electrode/electrolyte interface. Stronger proton affinity of -OH in PD can break bulk-H 2 O hydrogen-bond-network to inhibit the activity of water, and electron affinity can enhance electron acceptation capability, which ensures that PD is preferentially bound to electrode material over H 2 O. Besides, the participation of PD in the Zn 2+ solvation structure reduces water content at the solid–liquid interface and promotes uniform deposition process by optimizing Zn 2+ de-solvation energy. Accordingly, dense and vertical zinc texture based on intrinsic steric hindrance effect of PD and formed SEI protective layer to induce stable Zinc anode-electrolyte interface. Moreover, an organic–inorganic shielding water layer was formed at the cathode side to suppress vanadium dissolution in vanadium Oxide. Consequently, Zn//Zn symmetric cell could cycle for more than 5600 hours at 1 mAh cm −2 @1 mA cm −2 (more than 250 hours at 50 °C). Besides, the VO 2 and I 2 cathode all achieved stable cycling performance and former pouch cell could reach average capacity of 0.13 Ah.

关键词： Electrode/electrolyte interface Active-water SEI Electron and proton affinity Cathode dissolution

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High electrocaloric cooling power of relaxor ferroelectric BaZr_xTi_(1–x)O_3 ceramics within broad temperature range

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Science Bulletin 2018年第6期63卷 356-361页

作者： Jianfeng Qian Penghao Hu Chen Liu Jianyong Jiang Zhenkang Dan Jing Ma Yuanhua Lin Ce-Wen Nan Yang Shen School of Materials Science and Engineering and State Key Laboratory of New Ceramics and Fine Processing Tsinghua University Institute for Advanced Materials and Technology University of Science & Technology Beijing

Electrocaloric effect （ECE） is much promising to realize high efficiency and environment friendly solution in solid cooling devices. Relaxor ferroelectrics are good candidates for the materials with high elec-trocaloric cooling power. In this paper, relaxor ferroelectric Ba（ZrxTil_x）O3 （BZT, x = 0.2, 0.21, 0.22, 0.23） ceramics were prepared with their temperature change （AT） induced by the ECE and electrocaloric strength （AT/E） measured within broad temperature range. It is found that the BZT21 （x = 0.21) exhibits the largest ATof-4.67 K and a high AT/E value of-0.46 km/MV at 9.9 MV/m and 25℃. BZT21 also exhi-bits apparent relaxor ferroelectric response, showing a very broad EC peak in the temperature interval between 15℃ and 50℃. Moreover, the relationship between EC properties and relaxor features was analyzed by piezoresponse force microscopy test. The results reveal that more dispersed phase structures induce additional configurational entropy, which is in favor for the enhanced EC performance. The inter-play and compromise between the kinetic and thermodynamic mechanisms of domain switching deter-mines the optimal composition for the EC performances of the BZT ceramics.

关键词： Electrocaloric effectRelaxor ferroelectricsPiezoresponse force microscopy Domain structure

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Efficient alkaline hydrogen evolution in water/seawater over VC-VO heterostructure with optimized electronic structure and hydrogen adsorption

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Nano materials Science 2025年

作者： Yujin Huang Zhijie Chen Xinyi Cai Shunyan Ning Xijun Liu Bing-Jie Ni Jinliang Zhu School of Resources Environment and Materials Guangxi Key Laboratory of Processing for Non-ferrous Metals and Featured Materials State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures Guangxi University Nanning 530004 PR China School of Nuclear Science and Technology Key Laboratory of Advanced Nuclear Energy Design and Safety Ministry of Education University of South China Hengyang 421001 PR China UNSW Water Research Centre School of Civil and Environmental Engineering The University of New South Wales Sydney 2052 Australia

Efficient and durable non-precious catalysts for the alkaline hydrogen evolution reaction (HER) is crucial for the scalable implementation of (sea) water electrolysis, remaining a significant challenge. In this study, we introduce a novel interfacial engineering approach to design a high-performance VC-VO supported on a porous carbon framework. The unique synergy between vanadium carbide (VC) and vanadium oxide (VO) at the interface significantly enhances electron transfer, improving the overall HER catalytic performance. In both alkaline water and seawater solutions, the VC-VO/C heterostructure demonstrates excellent HER activity, requiring low overpotentials of 75 mV and 100 mV respectively, at the current density of 10 mA cm −2 , along with outstanding long-term stability of 100 h and 275 h, respectively. In addition, the VC-VO/C || RuO 2 system exhibits high activity and long-term stability for alkaline water and seawater electrolysis. Density functional theory (DFT) calculations further reveal that the superior performance of VC-VO/C is driven by its optimized electronic properties and hydrogen adsorption behavior, facilitating efficient HER kinetics. This work highlights the potential of VC-VO/C as a cost-effective catalyst for large-scale (sea) water electrolysis, offering a promising route toward sustainable green hydrogen production.

关键词： Vanadium carbide Vanadium oxide Hydrogen evolution Seawater electrolysis

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