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Assessing Effects of van der Waals Corrections on Elasticity of Mg3Bi2-xSbx in DFT Calculations 期刊论文
MATERIALS, 2023, 卷号: 16, 期号: 19, 页码: 15
作者:  Peng Q(彭庆);  Ma, Xinjie;  Yang, Xiaoyu;  Zhao, Shuai;  Yuan XZ(袁晓泽);  Chen, Xiaojia
Adobe PDF(3669Kb)  |  收藏  |  浏览/下载：77/0  |  提交时间：2023/11/13
thermoelectric materials  PBE-D3  vdW-DFq  first-principles calculation  Mg3Bi2-xSbx  
Unusually high corrosion resistance in MoxCrNiCo medium entropy alloy enhanced by acidity in aqueous solution 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2023, 卷号: 139, 页码: 59-68
作者:  Shuang S;  Lyu, GJ;  Chung D;  Wang XZ;  Gao X;  Mao HH;  Li WP;  He QF;  Guo BS;  Zhong XY;  Wang YJ(王云江);  Yang Y
Adobe PDF(3744Kb)  |  收藏  |  浏览/下载：140/4  |  提交时间：2022/12/20
Corrosion  Passivation  Alloy design  Multi-principal element alloys  Medium-entropy alloys  
Anisotropic mechanical response of a 2D covalently bound fullerene lattice 期刊论文
CARBON, 2023, 卷号: 202, 页码: 118-124
作者:  Zhao S(赵帅);  Zhang XB(张曦蓓);  Ni, Yong;  Peng Q(彭庆);  Wei YJ(魏宇杰)
Adobe PDF(6116Kb)  |  收藏  |  浏览/下载：273/47  |  提交时间：2023/01/12
MonolayerC(60) fullerene(mC(60))  Mechanical properties  Anisotropic strength  Strain engineering  Band gap  
A new Al5Cu6(Li,Mg)2 cubic phase in an Al-Cu-Li-Mg-X alloy 期刊论文
MATERIALS CHARACTERIZATION, 2022, 卷号: 189, 页码: 5
作者:  Jiang, Bo;  Li, Shichen;  Cao FH(曹富华);  Song, Renguo;  Yi, Xiaoou
Adobe PDF(6211Kb)  |  收藏  |  浏览/下载：125/19  |  提交时间：2022/08/10
Al 5 Cu 6 (Li  Precipitation  Formation enthalpy  Alloy  Al5Cu6(Li  Mg)2  
Surface reconstruction establishing Mott-Schottky heterojunction and built-in space-charging effect accelerating oxygen evolution reaction 期刊论文
NANO RESEARCH, 2022, 卷号: 15, 期号: 4, 页码: 2952-2960
作者:  Kang Y;  Wang S;  Hui KS;  Wu SX;  Dinh DA;  Fan X;  Bin F(宾峰);  Chen FM;  Geng JX;  Cheong WCM;  Hui KN
Adobe PDF(4544Kb)  |  收藏  |  浏览/下载：259/38  |  提交时间：2022/01/12
F anions  dynamic migration  nickel hydroxides  surface reconstruction  oxygen evolution reaction (OER)  
Intrinsic sodium occurrence in Zhundong coal: Experimental observations and molecular modeling 期刊论文
FUEL, 2021, 卷号: 305, 页码: 12
作者:  Sun C(孙岑);  Wei XL(魏小林);  Kang RN(康润宁);  Bin F(宾峰);  Li S(李森)
Adobe PDF(9737Kb)  |  收藏  |  浏览/下载：299/53  |  提交时间：2021/11/01
Alkali metal occurrence model  Zhundong coal  Molecular model  DFT  NMR  
Repeatable mechanical energy absorption of ZnO nanopillars 期刊论文
MATERIALS TODAY COMMUNICATIONS, 2021, 卷号: 29, 页码: 8
作者:  Wang J(王军);  Zhou M;  Yang R(杨荣);  Xiao P(肖攀);  Ke FJ(柯孚久);  Lu CS(卢春生)
Adobe PDF(6444Kb)  |  收藏  |  浏览/下载：191/50  |  提交时间：2022/01/12
ZnO nanopillars  Repeatable energy absorption  Phase transformation  Inversion domain boundary  Molecular dynamics  
Computational Screening of Single Atoms Anchored on Defective Mo2CO2 MXene Nanosheet as Efficient Electrocatalysts for the Synthesis of Ammonia 期刊论文
ADVANCED ENGINEERING MATERIALS, 2021, 页码: 8
作者:  Wang, Shuo;  Li, Lei;  San Hui, Kwan;  Bin F(宾峰);  Zhou, Wei;  Fan, Xi;  Zalnezhad, E.;  Li, Jing;  Hui, Kwun Nam
Adobe PDF(1142Kb)  |  收藏  |  浏览/下载：306/72  |  提交时间：2021/08/16
density functional theory calculations  electrocatalysis  MXene  nitrogen reduction reaction  single-atom catalysts  
Roughening for Strengthening and Toughening in Monolayer Carbon Based Composites 期刊论文
NANO LETTERS, 2021, 卷号: 21, 期号: 11, 页码: 4823-4829
作者:  Xie WH(谢文慧);  Wei YJ(魏宇杰)
Adobe PDF(11471Kb)  |  收藏  |  浏览/下载：133/63  |  提交时间：2022/10/25
Monolayer amorphous carbon  Graphene  Roughening Toughness  Strength  
Iron-modulated nickel cobalt phosphide embedded in carbon to boost power density of hybrid sodium-air battery 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2021, 卷号: 285, 页码: 11
作者:  Kang, Yao;  Wang, Shuo;  Zhu, Siqi;  Gao, Haixing;  Hui, Kwan San;  Yuan, ChengZong;  Yin, Hong;  Bin F(宾峰);  Wu, XiLin;  Mai, Wenjie;  Zhu, Ling;  Hu, Maocong;  Liang, Feng;  Chen, Fuming;  Hui, Kwun Nam
Adobe PDF(7410Kb)  |  收藏  |  浏览/下载：373/126  |  提交时间：2021/04/07
Iron doping  Nickel cobalt phosphide  Electronic structure reformation  DFT calculation  Hybrid sodium-air battery