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Enhanced room-temperature Na^(+) ionic conductivity in Na_(4.92)Y_(0.92)Zr_(0.08)Si_(4)O_(12)

eScience 2023年第6期3卷 935-945页

作者： Aikai Yang Kai Yao Mareen Schaller Enkhtsetseg Dashjav Hang Li Shuo Zhao Qiu Zhang Martin Etter Xingchen Shen Huimin Song Qiongqiong Lu Ruijie Ye Igor Moudrakovski Quanquan Pang Sylvio Indris Xingchao Wang Qianli Ma Frank Tietz Jun Chen Olivier Guillon Forschungszentrum Jülich GmbH Institute of Energy and Climate ResearchMaterials Synthesis and Processing(IEK-1)52425 JülichGermany Institute of Mineral Engineering(GHI) RWTH Aachen UniversityForckenbeckstraße 3352074 AachenGermany Institute for Applied Materials-Energy Storage Systems(IAM-ESS) Karlsruhe Institute of Technology(KIT)76344 Eggenstein-LeopoldshafenGermany Renewable Energy Conversion and Storage Center(RECAST) Haihe Laboratory of Sustainable Chemical TransformationsKey Laboratory of Advanced Energy Materials Chemistry(Ministry of Education)College of ChemistryNankai UniversityTianjin 300071China Deutsches Elektronen-Synchrotron(DESY) Notkestrasse 8522607 HamburgGermany Laboratoire de Cristallographie et Sciences des Materiaux(CRISMAT) CNRSENSICAEN14000 CaenFrance Beijing Key Laboratory of Theory and Technology for Advanced Batteries Materials School of Materials Science and EngineeringPeking UniversityBeijing 100871China Institute of Materials Henan Academy of SciencesHenan Key Laboratory of Advanced Conductor MaterialsZhengzhou 450046China Max Planck Institute for Solid State Research Heisenbergstraße 170569 StuttgartGermany State Key Laboratory of Chemistry and Utilization of Carbon Based Energy Resources Key Laboratory of Advanced Functional MaterialsAutonomous RegionInstitute of Applied ChemistryCollege of ChemistryXinjiang UniversityUrumqiXinjiang 830046China Forschungszentrum Jülich GmbH Helmholtz Institute Münster(IEK-12)52425 JülichGermany Jülich Aachen Research Alliance JARA-Energy52425 JülichGermany

Developing cost-effective and reliable solid-state sodium batteries with superior performance is crucial for stationary energy storage.A key component in facilitating their application is a solid-state electrolyte with high conductivity and ***,we employed aliovalent cation substitution to enhance ionic conductivity while preserving the crystal *** substitution of Y^(3+)with Zr^(4+)in Na_(5)YSi_(4)O_(12) introduced Naþion vacancies,resulting in high bulk and total conductivities of up to 6.5 and 3.3 mS cm^(-1),respectively,at room temperature with the composition Na_(4.92)Y_(0.92)Zr_(0.08)Si_(4)O_(12)(NYZS).NYZS shows exceptional electrochemical stability(up to 10 V ***þ/Na),favorable interfacial compatibility with Na,and an excellent critical current density of 2.4 mA cm^(-2).The enhanced conductivity of Naþions in NYZS was elucidated using solid-state nuclear magnetic resonance techniques and theoretical simulations,revealing two migration routes facilitated by the synergistic effect of increased Naþion vacancies and improved chemical environment due to Zr^(4+)*** extends the list of suitable solid-state electrolytes and enables the facile synthesis of stable,low-cost Naþion silicate electrolytes.

关键词： Solid-state electrolytes Sodium superionic conductors Na_(4.92)Y_(0.92)Zr_(0.08)Si_(4)O_(12) High conductivity Ultra-wide electrochemical window

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Improvement of the regenerability and surface electronegativity of rectorite via magnetic modification

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Journal of Molecular Liquids 2025年 427卷

作者： Su, Dan Huang, Jingyi Zhang, Ge Gao, Jing Wen, Zhipan Wang, Yingru School of Chemistry and Environmental Engineering Wuhan Institute of Technology Wuhan430073 China State Key Laboratory of New Textile Materials and Advanced Processing Technology Wuhan Textile University Wuhan430200 China

In this study, the magnetic modification of rectorite was conducted to enhance its regenerability and surface electronegativity. When using the raw rectorite, the removal rate of ciprofloxacin was 78 % and the recovery rate was only 26 % after six regeneration cycles. However, with magnetized modified rectorite (M-REC), the removal rate of ciprofloxacin was 97 % and the recovery rate exceeded 75 %. The magnetic properties, easy magnetic separation and enhanced surface electronegativity of M-REC were confirmed through SEM, TEM, VSM, XRD, BET and XPS characterization. After six regeneration recycles, the basic skeleton structure of M-REC remained largely unchanged, indicating that has excellent stability. Additionally, the adsorption kinetics and thermodynamics of M-REC were investigated, and the Langmuir model accurately described the adsorption isotherm. The adsorption kinetics data fit the pseudo-second order models. The adsorption rate was determined by the number of available adsorption sites on the M-REC surface, and the removal process was primarily driven by chemisorption. Therefore, M-REC is an environmentally friendly adsorption material with potential applications in environmental remediation. © 2025

关键词： Adsorption isotherms

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Recent advances in materials and device technologies for aqueous hybrid supercapacitors

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Science China materials 2022年第1期65卷 10-31页

作者： Qiuyue Gui Deliang Ba Linpo Li Wenyi Liu Yuanyuan Li Jinping Liu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China School of Optical and Electronic Information Huazhong University of Science and TechnologyWuhan 430074China State Center for International Cooperation on Designer Low-carbon&Environmental Materials School of Materials Science and EngineeringZhengzhou UniversityZhengzhou 450001China

Aqueous hybrid supercapacitors(AHSCs)offer potential safety and eco-friendliness compared with conventional electrochemical energy storage devices that use toxic and flammable organic *** can serve as the bridge between aqueous batteries and aqueous supercapacitors by combining the advantages of high energy of the battery electrode and high power as well as long lifespan of the capacitive *** the past few decades,extensive research efforts have been devoted to developing advanced materials and fascinating device architectures for ***,further development related to the compatibilities between the battery-type electrode and capacitive electrode remains stagnant mainly due to discrepancy encountered in terms of reaction kinetics and *** review focuses on the recent progress made in the field of AHSCs via elucidating the main concepts on the design of battery and capacitive electrodes and emerging *** particular,ingenious AHSCs that possess either better flexibility toward materials selection or better device functionality such as those with“dual-ion”energy storage mechanism and non-polarity feature are also *** advances and unresolved issues in multivalent ion hybrid devices(in particular,zinc-ion AHSCs)are further ***,future research directions and challenges for AHSCs are presented,which are anticipated to deliver higher energy and demonstrate greater multifunctionalities for more breakthrough technology applications.

关键词： aqueous hybrid supercapacitors electrode materials electrolytes device technologies

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Directing Ni/Al Layered Double Hydroxides Nanosheets on Tubular Graphite Carbon Nitride for Promoted Photocatalytic Hydrogen Production

SSRN

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SSRN 2024年

作者： Jiang, Ze-Yu Ran, Mao-Jin Liu, Kai Huang, Yi-Fu Li, Zhi-Rong Shen, Ting-Ting Li, Wan-Ying Khojiev, Shokir Hu, Zhi-Yi Liu, Jing Chen, Li-Hua Li, Yu Su, Bao-Lian State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology 122 Luoshi Road Hubei Wuhan430070 China Wuhan University of Technology 122 Luoshi Road Hubei Wuhan430070 China Center for Advanced Technology under Agency for Innovative Development of the Republic of Uzbekistan The Ministry of Higher Education Science and Innovation University Street 3A Tashkent100174 Uzbekistan University of Namur 61 rue de Bruxelles NamurB-5000 Belgium State Key Laboratory of Advanced Technology for Materials Synthesis and Processing China

Constructing heterojunctions via in-situ growth or mechanical mixing have been widely used for improving the photogenerated carrier separation and photocatalytic activity. However, interface transfer impedance and the charge transfer channels of heterojunction prepared by in-situ method are rarely discussed. In this work, we use tubular g-C3N4 (TCN) as the basic photocatalyst and in-situ growth of nickel/aluminum layered double hydroxide (LDH) nanosheets as co-catalyst on the surface of TCN (TCN@Ni/Al-LDH) to show the advantage of the in-situ constructing heterojunction for highly enhanced photocatalytic hydrogen production. The results show that the TCN@Ni/Al-LDH-60 exhibits the best hydrogen production performance of 1428 μmol h-1 g-1, which is 53.3 and 21.33 times higher than that of TCN and mechanical prepared TCN/Ni/Al-LDH-60. For the first time, we propose a statistics model to reveal that the contact area of the heterojunction TCN@Ni/Al-LDH-60 is 2.88 times that of TCN/Ni/Al-LDH-60. This largely increases the charge transfer channels for the photogenerated carrier transport. In addition, the in-situ growth of TCN@Ni/Al-LDH composites increases the active sites, which improves the utilization efficiency of the photogenerated electrons. This study would shed some light on analyzing the in-situ constructing heterojunction photocatalysts for efficient photocatalytic hydrogen production through photocatalytic water splitting. © 2024, The Authors. All rights reserved.

关键词： Heterojunctions

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Wear-resistant CoCrNi multi-principal element alloy at cryogenic temperature

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Science Bulletin 2024年第2期69卷 227-236页

作者： Yue Ren Qing Zhou Dongpeng Hua Zhuobin Huang Yulong Li Qian Jia Peter Gumbsch Christian Greiner Haifeng Wang Weimin Liu State Key Laboratory of Solidification Processing Center of Advanced Lubrication and Seal MaterialsNorthwestern Polytechnical UniversityXi’an 710072China Institute for Applied Materials Karlsruhe Institute of TechnologyKarlsruhe 76131Germany IAM-ZM MicroTribology CenterμTC Karlsruhe Institute of TechnologyKarlsruhe 76131Germany Fraunhofer IWM Freiburg 79108Germany State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000China

Traditional high strength engineering alloys suffer from serious surface brittleness and inferior wear performance when servicing under sliding contact at cryogenic ***,we report that the recently emerging CoCrNi multi-principal element alloy defies this trend and presents dramatically enhanced wear resistance when temperature decreases from 273 to 153 K,surpassing those of cryogenic austenitic *** temperature-dependent structure characteristics and deformation mechanisms influencing the cryogenic wear resistance of CoCrNi are clarified through microscopic observation and atomistic *** is found that sliding-induced subsurface structures show distinct scenarios at different deformation *** cryogenic condition,significant grain refinement and a deep plastic zone give rise to an extended microstructural gradient below the surface,which can accommodate massive sliding deformation,in direct contrast to the strain localization and delamination at 273 ***,the temperature-dependent cryogenic deformation mechanisms(stacking fault networks and phase transformation)also provide additional strengthening and toughening of the subsurface *** features make the CoCrNi alloy particularly wear resistant at cryogenic conditions and an excellent candidate for safety–critical applications.

关键词： Multi-principal element alloy Cryogenic temperature Wear CoCrNi

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Simultaneous optimization of lattice and spin configurations in atomic scale simulation of magnetic materials

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Physical Review B 2025年第13期111卷 134412-134412页

作者： Zhengtao Huang Teng Yang Hanxing Liu Ben Xu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center for Smart Materials and Device Integration School of Material Science and Engineering Wuhan University of Technology Wuhan 430070 People's Republic of China Graduate School of China Academy of Engineering Physics Beijing 100088 People's Republic of China School of Materials Science and Engineering Tsinghua University Beijing 100084 People's Republic of China

Large scale atomistic simulations involving spin-lattice coupling are at the forefront of research in condensed matter physics and materials science. A key challenge lies in determining the ground state configurations of spins and lattices given this strong coupling, complicated by their evolution adherence to distinct governing equations. Unlike first-principles calculations, where the magnetic configuration is naturally determined by minimizing the electronic energy, no existing algorithm can simultaneously optimize both lattice and spin degrees of freedom at the atomic scale. This paper introduces a synergistic optimization framework for lattice and spin optimization in magnetic materials, overcoming the conventional separation approach. Employing a “pseudoatomic” method, the simultaneous optimization of atomic and spin configurations enhances accuracy and speed, enabling both atomic scale precision and large scale calculations. Applied to face-centered-cubic iron and BiFeO3, this approach demonstrates effective convergence, offering a robust tool for complex spin-lattice coupling problems, which paves a path for addressing high-dimensional optimization problems.

关键词： Atoms

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Prediction of Two-Dimensional Semiconductor Compounds Man3 (M = V, Nb, Ta;a = Si, Ge) from Ma2n4 Family

SSRN

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SSRN 2023年

作者： Zhu, Ying Li, Pei-Yue Yuan, Jun-Hui Zhang, Pan Wang, Jiafu School of Science Wuhan University of Technology Wuhan430070 China School of Integrated Circuits Peking University Beijing100871 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing

Two-dimensional (2D) materials, renowned for their excellent structural and electronic properties, are considered to be the best candidates in the post-Moore era. Herein, we successfully designed 22 stable 2D monolayers with built-in electric fields based on the design principle of valence charge balance and layer stacking. The predicted novel monolayers, i.e., 2D MAN3, originates from the MA2N4 (M = V, Nb, Ta;A = Si, Ge), which has been widely studied in recent years. All these monolayers exhibit semiconductor properties, covering a wide range band gaps from 1.23 to 3.14 eV, with half displaying a direct band feature. Based on the modified carrier mobility calculation method, we found that the MAN3 monolayer shows remarkable hole mobility, reaching up to 104 cm2V-1s-1. Owing to their wide range of band gaps, 2D MAN3 has excellent optical absorption in the infrared, visible, and ultraviolet regions. Additionally, due to their non-centrosymmetric structure, these monolayers possess intrinsic built-in electric fields that can effectively adjust the band edges, which not only facilitates the construction of different types of interface contacts, but also satisfies the requirements of photovoltaic water splitting. Our work not only significantly expands the MAN3 family, but also provides valuable insights for future research. © 2023, The Authors. All rights reserved.

关键词： Monolayers

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A new catalyst for urea oxidation: NiCo2S4 nanowires modified 3D carbon sponge

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Journal of Energy Chemistry 2020年第11期29卷 195-205页

作者： Biaopeng Li Congying Song Jianjun Rong Jing Zhao Hong-En Wang Ping Yang Ke Ye Kui Cheng Kai Zhu Jun Yan Dianxue Cao Guiling Wang Key Laboratory of Superlight Materials and Surface Technology of Ministry of Education College of Materials Science and Chemical EngineeringHarbin Engineering UniversityHarbin 150001HeilongjiangChina State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070HubeiChina

Urea oxidation is a significant reaction for utilizing urea-rich wastewater or human urine as sustainable power sources which can ease the water eutrophication while generate electricity. A direct urea-hydrogen peroxide fuel cell is a new kind of fuel cell employing urea as fuel and hydrogen peroxide as oxidant which possesses a larger cell voltage. Herein, this work tries to promote the kinetics process of urea oxidation by preparing low-cost and high-efficient NiCo2S4 nanowires modified carbon sponge electrode. The carbon sponge used in this work with a similar three-dimensional multi-channel structure to Ni foam, is prepared by carbonizing recycled polyurethane sponge which is also a process of recycling waste. The performance of the prepared catalyst in an alkaline solution is investigated in a three-electrode *** the introduction of Co element to the catalyst, a reduced initial urea oxidation potential and a high performance are obtained. Furthermore, a direct urea-hydrogen peroxide fuel cell is assembled using the NiCo2S4 nanowires modified carbon sponge anode. Results indicate that the prepared catalyst provides a chance to solve the current problems that hinder the development of urea electrooxidation(high initial urea oxidation potential, low performance, and high electrode costs).

关键词： Carbon sponge Direct urea fuel cell Electrocatalyst NiCo2S4 nanowires Urea oxidation

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N-heterocyclic carbene-catalyzed atroposelective synthesis of axially chiral 5-aryl 2-pyrones from enals

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Science China Chemistry 2022年第10期65卷 1953-1961页

作者： Guanjie Wang Juhui Huang Linxue Zhang Jinna Han Xiaoxiang Zhang Jie Huang Zhenqian Fu Wei Huang Key Laboratory of Flexible Electronics&Institute of Advanced Materials Institute of Advanced SynthesisSchool of Chemistry and Molecular EngineeringNanjing Tech UniversityNanjing 211816China Jiangsu Co-Innovation Center of Efficient Processing and Utilization of Forest Resources College of Chemical EngineeringNanjing Forestry UniversityNanjing 210037China Ningbo Institute Chongqing Technology innovation CenterFrontiers Science Center for Flexible Electronics(FSCFE)Northwestern Polytechnical UniversityXi’an 710072China

Axially chiral molecules have been widely used in inorganic,material and medicinal *** with well-established N-heterocyclic carbene(NHC)-catalyzed asymmetric construction of centrally chiral molecules,NHC-catalyzed atroposelective synthesis of axially chiral molecules remains largely ***,alkynyl acyl azolium intermediates were commonly used in constructing a heteroaryl ring to furnish axially enantioenriched *** inherent character of the intermediates often led to react with sterically hindered substrates ***,we have successfully disclosed the atroposelective synthesis of axially chiral heteroaryl-aryls from sterically hindered enols through the use of chiral NHCs as catalysts for highly enantioselective Coates-Claisen rearrangements via catalytically generatedα,β-unsaturated acyl *** approach will enable the concise synthesis of valuable tetra-ortho-substituted 2-pyrones in one step with good yield and chirality control.

关键词： N-heterocyclic carbene organocatalysis atroposelective synthesis 2-pyrones enals

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Microstructural Evolution of Defects Under Proton Irradiation in Porous Cu

SSRN

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SSRN 2024年

作者： Li, Honglin Wang, Hao Huang, Zhifeng Wen, Pin Yin, Guanchao Chen, Fei Hubei Longzhong Laboratory Xiangyang441106 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China International School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics School of Science Wuhan University of Technology Wuhan430070 China State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical Physics Chinese Academy of Sciences Lanzhou730000 China

The high specific strength and exceptional thermal insulating properties of porous metals make them an ideal choice for aerospace structural components and thermal insulation materials. However, in the space environment, proton irradiation leads to the formation of voids, bubbles, and dislocation loops, significantly compromising their physical and mechanical properties. To date, there has been limited attention to the radiation resistance properties in research related to porous metals. This study conducted proton irradiation experiments with a total dose of 1×1017 ions/cm2 on porous Cu. This study discusses and explains the irradiation-induced damage characteristics on the surface of porous Cu before and after proton irradiation. This provides insights into the radiation damage mechanisms within the porous Cu ligaments and the hydrogen release behavior on the ligament surface. Cascade recoil and collision-induced thermal spike effects modify material defect characteristics and crystal structure. This study elucidates the defect evolution mechanism of porous materials under proton irradiation, offering new insights for the design of other radiation-resistant porous materials as protective materials for future advanced space probes. © 2024, The Authors. All rights reserved.

关键词： Radiation damage

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