检索结果-内蒙古大学图书馆

The role of grain boundary character on hydrogen energetics and kinetics in tungsten: Insights from atomic-scale modeling

引用

Acta Materialia 2025年

作者： Xue-Ru Zheng Xiang-Shan Kong C.S. Liu Xiao Zhou State Key Lab of Metal Matrix Composites School of Materials Science and Engineering Institute of Medical Robotics Shanghai Jiao Tong University Shanghai 200240 China Key Laboratory of Materials Physics Institute of Solid State Physics HFIPS Chinese Academy of Sciences Hefei 230031 China State key Laboratory of Advanced Equipment and Technology for Metal Forming and Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials (Ministry of Education) Shandong University Jinan Shandong 250061 China

Hydrogen (H) retention in tungsten (W), a critical challenge for its application as a plasma-facing material in nuclear reactors, is strongly influenced by grain boundaries (GBs). However, the precise role of GB in H diffusion and retention, as along with the intricate interactions with H energetics and kinetics, remains poorly understood and contentious yet. In this study, we conduct comprehensive atomistic simulations to explore the effects of GBs on H segregation, desorption, and diffusion in W. Our results reveal that GBs preferentially trap H, with the GB-H binding energies closely related to specific polyhedral structural units. We thoroughly analyze the migration pathways and energy barriers involved in H desorption, determining the critical desorption and decoupling temperatures using a statistical approach. More importantly, the rapid H diffusion channels are identified within GBs that contain discrete dislocation cores and pentagonal bipyramid (PBP) units. Based on these results, we propose a material design strategy that involves tuning GB types and temperature conditions to mitigate H retention. These findings provide essential insights into the energetics and kinetics of GB-H interactions, offering valuable guidance for the design of W-based materials with enhanced resistance to H retention through GB engineering.

关键词：

来源：评论

学校读者我要写书评

暂无评论

Tungsten Phosphide on Nitrogen and Phosphorus-Doped Carbon as a Functional Membrane Coating Enabling Robust Lithium-Sulfur Batteries

SSRN

引用

SSRN 2024年

作者： Li, Canhuang Yu, Jing Zhang, Chaoqi Wang, Jian Yang, Dawei Xiao, Ke Li, Hao Huang, Chen Cheng, Yapeng Ren, Yuchuan Qi, Xuede Yang, Tianxiang Li, Junshan Wang, Jiaao Henkelman, Graeme Arbiol, Jordi Nan, Junmin Cabot, Andreu Catalonia Institute for Energy Research-IREC Sant Adrià de Besòs Barcelona08930 Spain Department of Chemistry Universitat de Barcelona Barcelona08028 Spain College of Materials Science and Engineering Fuzhou University No.2 Xueyuan Road Minhou County Fujian Province Fuzhou City350108 China Department of Electronic and Biomedical Engineering Universitat de Barcelona Barcelona08028 Spain UlmD89081 Germany Henan Province Key Laboratory of Photovoltaic Materials School of Future Technology Henan University Kaifeng475004 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology China Chongqing University of Technology China CSIC and BIST Campus UAB Bellaterra Barcelona Catalonia08193 Spain School of Environmental Engineering and Chemistry Luoyang Institute of Science and Technology Henan Luoyang471023 China Institute for Advanced Study Chengdu University Chengdu610106 China Department of Chemistry The Oden Institute for Computational Engineering and Sciences The University of Texas at Austin AustinTX78712-0165 United States School of Chemistry South China Normal University Guangzhou510006 China ICREA Pg. Lluis Companys Barcelona Catalonia08010 Spain

Lithium-sulfur batteries (LSBs) hold great potential as future energy storage technology, but their widespread application is hampered by the slow polysulfide conversion kinetics and the sulfur loss during cycling. In this study, we detail a one-step approach to growing tungsten phosphide (WP) nanoparticles on the surface of nitrogen and phosphorus co-doped carbon nanosheets (WP@NPC). We further demonstrate that this material provides outstanding performance as a multifunctional separator in LSBs, enabling higher sulfur utilization and exceptional rate performance. These excellent properties are associated with the abundance of lithium polysulfide (LiPS) adsorption and catalytic conversion sites and rapid ion transport capabilities. Experimental data and density functional theory calculations demonstrate tungsten to have a sulfophilic character while nitrogen and phosphorus provide lithiophilic sites that prevent the loss of LiPSs. Furthermore, WP regulates the LiPS catalytic conversion, accelerating the Li-S redox kinetics. As a result, LSBs containing a polypropylene separator coated with a WP@NPC layer show capacities close to 1500 mAh g-1 at 0.1C and coulombic efficiencies above 99.5% at 3C. Batteries with high sulfur loading, 4.9 mg cm−2, are further produced to validate their superior cycling stability. This work demonstrates the use of multifunctional separators as an effective strategy to promote LSB performance. © 2024, The Authors. All rights reserved.

关键词： Polysulfides

来源：评论

学校读者我要写书评

暂无评论

Design of Potassiophilic 3d Conductive Scaffold Potassium Anode (3d-Ctz@K) with Dendrite-Free and High Energy-Power Density in Potassium Metal Batteries

SSRN

引用

SSRN 2023年

作者： Zhang, Dong-Ting Liu, Mao-Cheng Li, Min-Peng Chen, Hao Li, Chen-Yang Hu, Yu-Xia Kong, Ling-Bin Zhang, Xiang-Yun Gu, Bing-Ni Liu, Ming-Jin Zhao, Kun Ren, Jun-Qiang Yuan, Zi-Zhou Chueh, Yu-Lun State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals Lanzhou University of Technology Lanzhou730050 China School of Materials Science and Engineering Lanzhou University of Technology Lanzhou730050 China Department of Materials Science and Engineering National Tsing Hua University Hsinchu30013 Taiwan Colleage of Semiconductor Research National Tsing-Hua University Hsinchu30013 Taiwan Frontier Research Center on Fundamental and Applied Sciences of Matters National Tsing Hua University Hsinchu30013 Taiwan Department of Physics National Sun Yat-Sen University Kaohsiung80424 Taiwan

Potassium (K) metal batteries are raising considerable attention for lost-cost and high energy density. However, the practical application of K metal batteries are hampered by severe K dendrite growth and enormous volume variation during cycles on the K anode. Herein, a 3D-CTZ@K anode was fabricated by infusing molten K into a near-perfect scaffold (3D-CTZ), which was constructed by adsorbing K nucleation "seeds" (Ti3C2 MXene encapsulated ZnO nanoparticles, denoted as TZ hybrids) inside a 3D inter-connected porous carbon foam (3D-CF). Because of high potassiophilicity, large void space, extraordinary mechanical stability, and electron conductivity, the 3D-CTZ scaffold not only provides abundant K nucleation sites and rapid electronic transfer paths but also physically confines the K deposition, suppressing volume variation during K plating/stripping processes. Consequently, 3D-CTZ@K achieves a dendrite-free K behavior and alleviates volume variation, realizing extraordinary cycle stability and high rate capability. The 3D-CTZ@K//PB full battery also delivers excellent long-cycle stability with an enhanced capacity retention of 75.1% and an ultrahigh energy density of 352.5 Wh kg-1 at a power density of 7548.2 W kg-1. Such a sustainable K anode design sheds light on the design of the dendrite-free K metal battery and also other alkali metal batteries. © 2023, The Authors. All rights reserved.

关键词： Anodes

来源：评论

学校读者我要写书评

暂无评论

Twin-rich Ag coatings by additive rotary spray deposition manufacturing: Current-carrying friction machining to construct nanolamellar structures

引用

Journal of materials Science & technology 2025年

作者： Dexin Chen Jiebin Du Mingchong Lu Jiamin Fang Wei Li Zhongxiao Song Zhixin Kang Xiaopei Li Jun Sun Guangdong Provincial Engineering & Technology Research Center for Corrosion Resistant Materials Wear and Corrosion Resistant Technology Institute of Advanced Wear & Corrosion Resistant and Functional Materials Jinan University Guangzhou 510632 China State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University Xi'an 710049 China Guangdong Key Laboratory for Advanced Metallic Materials Processing School of Mechanical and Automotive Engineering South China University of Technology Guangzhou 510640 China Fujian Provincial Key Laboratory of Advanced Materials Oriented Chemical Engineering College of Chemistry and Materials Science Fujian Normal University Fuzhou 350007 China

In this study, a self-developed additive manufacturing technique, known as rotary spray deposition, was employed to uniformly deposit twin-rich Ag coatings onto Cu surfaces. The impact of the key deposition parameters, including spray distance, flow rate, and duration, on the surface morphology and thickness of the Ag coatings was meticulously investigated to achieve exceptionally high-quality coatings. These coatings exhibited a low resistivity of 1.711 × 10 −8 Ω m and a high hardness of 145 HV, which was attributable to the high-density twins and stacking faults (SFs) induced by the rotary spray deposition process. Subsequently, nanolamellar structures were produced on the trilayers under extreme machining conditions of current-carrying friction, aided by the use of lubricating oil (polyalphaolefin). The tribological behavior and wear mechanisms of the Ag coatings were systematically examined to determine the optimal load and current parameters for the effective formation of nanolamellar structures within the optimally worn subsurface microstructures. The primary formation mechanism was identified as sliding-induced dynamic deformation, characterized by high strain rates and strain gradients during the current-carrying friction machining process. Moreover, the nanolamellar structures demonstrated a remarkable ability to absorb the stress and strain arising from the current-carrying friction process, thereby enhancing the wear resistance of the Ag coatings. As a result, this technique is anticipated to pave new pathways for the development of nanolamellar structures and high-strength metallic materials.

关键词：

来源：评论

学校读者我要写书评

暂无评论

Current-driven magnetoresistance in van der Waals spin-filter antiferromagnetic tunnel junctions with MnBi2Te4

引用

Physical Review Applied 2023年第4期20卷 044056-044056页

作者： Lishu Zhang Hui Li Yanyan Jiang Zishen Wang Tao Li Sumit Ghosh Peter Grünberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1) Forschungszentrum Jülich Jülich 52428 Germany Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials Ministry of Education Shandong University Jinan 250061 China Department of Physics National University of Singapore Singapore 117542 Singapore Department of Physics Hong Kong University of Science and Technology Clear Water Bay Kowloon Hong Kong 999077 China Institute of Physics Johannes Gutenberg-University Mainz Mainz 55128 Germany

The field of two-dimensional magnetic materials has paved the way for the development of spintronics and nanodevices with other functionalities. Utilizing antiferromagnetic materials, in addition to layered van der Waals (vdW) ferromagnetic materials, has garnered significant interest. In this work, we present a theoretical investigation of the behavior of MnBi2Te4 devices based on the nonequilibrium Green’s function method. Our results show that the current-voltage (I-V) characteristics can be influenced significantly by controlling the length of the device and bias voltage and thus allow us to manipulate the tunneling magnetoresistance (TMR) with an external bias voltage. This can be further influenced by the presence of the boron nitride layer, which shows significantly enhanced TMR by selectively suppressing specific spin channels for different magnetic configurations. By exploiting this mechanism, the observed TMR value reaches up to 3690%, which can be attributed to the spin-polarized transmission channel and the projected local density of states. Our findings on the influence of structural and magnetic configurations on the spin-polarized transport properties and TMR ratios give the potential implementation of antiferromagnetic vdW layered materials in ultrathin spintronics.

关键词： Spin polarization Transport phenomena Tunneling magnetoresistance Antiferromagnets Magnetic tunnel junctions Van der Waals systems Density functional calculations Nonequilibrium Green's function

来源：评论

学校读者我要写书评

暂无评论

Green synthesis of High-Performance Porous Carbon Coated Silicon Composite Anode for Lithium Storage Based on Recycled Silicon Kerf Waste

SSRN

引用

SSRN 2022年

作者： Shi, Jian Sheng, Liangquan Li, Jingwei Liu, Guicheng School of Chemistry and Materials Engineering & Engineering Research Center of Biomass Conversion and Pollution Prevention Control of Anhui Provincial Department of Education Fuyang Normal University Fuyang236037 China School of Materials Science and Engineering Hefei University of Technology Hefei230009 China State Key Laboratory of Mineral Processing BGRIMM Technology Group Beijing100160 China Engineering Research Center of High Performance Copper Alloy Materials and Processing Ministry of Education Hefei230009 China Department of Physics Dongguk University Seoul04620 Korea Republic of

The effective management of silicon kerf waste produced from silicon wafer cutting processes of photovoltaic industry is of great significance for environmental protection and resources recycle. High-purity silicon kerf waste collected by acid-assisted separation and purification can be recycled as silicon source of silicon-based anode for lithium storage . Although volume volatility and low conductivity rooted in silicon anode are effectively handled by constructing carbon coated silicon composite with porous structure, it is always impeded by a HF-involved synthesis process for etching SiO 2 as template. Here, a green systhesis approach for porous carbon encapsulated recycled silicon kerf waste (Si@PC) are reasonably designed that calcium carbonate (CaCO 3 ) constructed as sacrificial layer is effortlessly removed away by HCl-assisted pickling, leaving porous structure. When evaluated in LIBs, the discharge capacity keeps at 712.6 mAhg -1 after 200th cycle at 0.5 Ag -1 , whose initial capacity reaches to 2739.2 mAhg -1;Meanwhile, it demonstrates a significantly improved rate performance. In brief, this work provides a green and low-cost method to synthesize high-performance silicon/carbon composite with porous structure as anode for lithium storage based on recycled silicon kerf waste, meanwhile offers a new viewpoint for the effective management of silicon kerf waste from photovoltaic industry with high value. © 2022, The Authors. All rights reserved.

关键词： Silicon oxides

来源：评论

学校读者我要写书评

暂无评论

Ru-modified NiO electrocatalysts for HER: Lower energy barriers and prolonged stability

引用

Chinese Chemical Letters 2025年

作者： Li Luo Xiaohong Cheng Qi Wu State Key Laboratory of New Textile Materials and Advanced Processing Technologies Wuhan Textile University Wuhan 430200 China College of Physical Science and Technology Central China Normal University Wuhan 430079 China Hubei Key Laboratory of Low Dimensional Optoelectronic Materials and Devices Hubei University of Arts and Science Xiangyang 441053 China

The hydrogen evolution reaction (HER) is a key process in electrocatalytic water splitting for hydrogen production, yet it is often limited by sluggish H*-OH adsorption and H* binding kinetics. We obtained Ru-modified NiO nanoparticles (Ru-NiO/NF) with enhanced HER properties by substituting Ruthenium (Ru) for Ni atoms in the NiO (200) crystalline facets on nickel foam by a one-step electrodeposition technique. This novel catalyst exhibits a significantly reduced *H-OH adsorption energy and improved kinetics, with an overpotential of only 60 mV at 10 mA/cm 2 and a Tafel slope of 26.19 mV/dec. The Ru-NiO/NF maintains its activity for over 115 h, outperforming NiO/NF by reducing the overpotential by 177 mV. DFT calculations confirm that the addition of Ru to NiO enhances the HER kinetics by modifying the electronic structure, optimizing the surface chemistry, stabilizing the intermediates, lowering the energy barriers, and facilitating efficient charge transfer through a robust three-dimensional structure, resulting in a change in the rate-limiting step and a significant reduction in the Gibbs free energy. This study presents a highly efficient HER catalyst and offers insights into designing advanced NiO-based electrocatalysts by reducing reaction energy barriers.

关键词：

来源：评论

学校读者我要写书评

暂无评论

Effect of interfacial friction on wear behavior and microstructure during extrusion of Pure Nickel N6

Research Square

引用

Research Square 2021年

作者： Jia, Zhi State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals Lanzhou University of Technology Lanzhou730050 China School of Material Science and Engineering Lanzhou University of Technology Lanzhou730050 China School of Materials Engineering Lanzhou Institute of Technology Lanzhou730050 China

This paper combines field extrusion and finite element simulation to study the influence of the friction state on the extrusion deformation of pure nickel. The use of lubricant reduces the shearing force of the billet-die interface, resulting in lower heat generation at the interface, greater forming stress and strain, and reduced uneven deformation of the billet. As a result, the surface quality of the workpiece is relatively good, but uneven lubrication is the main cause of tearing damage on the surface of the billet. The grain morphology, grain boundary distribution, and geometrically necessary dislocations distribution on the surface of the lubricating extruded bar are uniform, the microtexture strength is weak, and the Schmidt factor is large. © , CC BY.

关键词： Microstructure

来源：评论

学校读者我要写书评

暂无评论

Electrical switching of Ising-superconducting nonreciprocity for quantum neuronal transistor

arXiv

引用

arXiv 2024年

作者： Xiong, Junlin Xie, Jiao Cheng, Bin Dai, Yudi Cui, Xinyu Wang, Lizheng Liu, Zenglin Zhou, Ji Wang, Naizhou Xu, Xianghan Chen, Xianhui Cheong, Sang-Wook Liang, Shi-Jun Miao, Feng Institute of Brain-Inspired Intelligence National Laboratory of Solid State Microstructures School of Physics Collaborative Innovation Center of Advanced Microstructures Nanjing University Nanjing210093 China Institute of Interdisciplinary Physical Sciences School of Science Nanjing University of Science and Technology Nanjing210094 China Hefei National Laboratory for Physical Science at Microscale Department of Physics Key Laboratory of Strongly Coupled Quantum Matter Physics University of Science and Technology of China Anhui Hefei230026 China Center for Quantum Materials Synthesis Department of Physics and Astronomy Rutgers The State University of New Jersey PiscatawayNJ08854 United States Hefei National Laboratory Hefei230088 China

Nonreciprocal quantum transport effect is mainly governed by the symmetry breaking of the material systems and is gaining extensive attention in condensed matter physics. Realizing electrical switching of the polarity of the nonreciprocal transport without external magnetic field is essential to the development of nonreciprocal quantum devices. However, electrical switching of superconducting nonreciprocity remains yet to be achieved. Here, we report the observation of field-free electrical switching of nonreciprocal Ising superconductivity in Fe3GeTe2/NbSe2 van der Waals (vdW) heterostructure. By taking advantage of this electrically switchable superconducting nonreciprocity, we demonstrate a proof-of-concept nonreciprocal quantum neuronal transistor, which allows for implementing the XOR logic gate and faithfully emulating biological functionality of a cortical neuron in the brain. Our work provides a promising pathway to realize field-free and electrically switchable nonreciprocity of quantum transport and demonstrate its potential in exploring neuromorphic quantum devices with both functionality and performance beyond the traditional devices. © 2024, CC BY-NC-SA.

关键词： Van der Waals forces

来源：评论

学校读者我要写书评

暂无评论

Super black iron nanostructures with broadband ultralow reflectance for efficient photothermal conversion

引用

Applied Surface Science 2020年 521卷

作者： Zhao, Wenzheng Shen, Daozhi Zou, Guisheng Zhao, Guanlei Bai, Hailin Liu, Lei Zhou, Yunhong Department of Mechanical Engineering State Key Laboratory of Tribology Key Laboratory for Advanced Manufacturing by Materials Processing Technology Ministry of Education of PR China Tsinghua University Beijing100084 China

Structural absorption is widely accepted as an effective way to produce super black materials, which show matte black appearance and extremely broadband low reflectance. We have developed an ultrafast pulsed laser deposition (PLD) technology to deposit thin super black film by tuning the surface microstructure. Various coatings made by Fe, Al and Ti all showed broadband absorption, confirming that the PLD method is suitable for fabricating super back materials. At the wide range of wavelength from 250 nm to 2000 nm, the total integrated reflectance of iron coating is ~1.2%. The super black iron surface coating has low volume density composed of separated tree-like aggregates of nanoparticles. We have demonstrated that low effective refractive index and multi-layered iron oxide structures are the two contributing factors for the broadband ultralow reflectance. The broadband high-performance film was employed to effectively convert sunlight to heat. The steady-state temperature of the super black surface is 76 °C under solar irradiation. © 2020 Elsevier B.V.

关键词： Nanostructures

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：