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Lattice Thermal Conductivity of Mg3(Bi,Sb)2 Nanocomposites: A First-Principles Study 期刊论文
NANOMATERIALS, 2023, 卷号: 13, 期号: 22, 页码: 12
Authors:  Peng Q(彭庆);  Yuan XZ(袁晓泽);  Zhao S(赵帅);  Chen, Xiao-Jia
Adobe PDF(4964Kb)  |  Favorite  |  View/Download：85/9  |  Submit date：2024/01/08
Mg-3(BixSb1-x)(2)  lattice thermal conductivity  first-principles calculations  
Active-learning search for unitcell structures: A case study on Mg3Bi2-xSbx 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 226, 页码: 112260
Authors:  Peng Q(彭庆);  Yuan XZ(袁晓泽);  Zhao S(赵帅);  Zhou, Yuwei;  Wen, Xiaodong;  Chen, Xiaojia
Adobe PDF(3656Kb)  |  Favorite  |  View/Download：40/2  |  Submit date：2023/07/17
Crystal structure prediction  First -principles calculations  Mg-Bi-Sb alloy  Active learning strategy  Unitcell modeling  
Anisotropic mechanical response of a 2D covalently bound fullerene lattice 期刊论文
CARBON, 2023, 卷号: 202, 页码: 118-124
Authors:  Zhao S(赵帅);  Zhang XB(张曦蓓);  Ni, Yong;  Peng Q(彭庆);  Wei YJ(魏宇杰)
Adobe PDF(6116Kb)  |  Favorite  |  View/Download：291/49  |  Submit date：2023/01/12
MonolayerC(60) fullerene(mC(60))  Mechanical properties  Anisotropic strength  Strain engineering  Band gap