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Modulation the reaction paths of oxygen removal by electronic effects for Fe5C2(100) surfaces 期刊论文
APPLIED SURFACE SCIENCE, 2023, 卷号: 640, 页码: 10
作者:  Gong, Huiyong;  Yuan XZ(袁晓泽);  Qing, Ming;  Liu, Jinjia;  Han, Xiao;  Wang, Hong;  Wen, XiaoDong;  Yang, Yong;  Li, Yongwang
Adobe PDF(9525Kb)  |  收藏  |  浏览/下载：95/4  |  提交时间：2023/10/16
Transition metals  Electronic effects  Oxygen removal  Electronegativity  Bonding analysis  
Active learning to overcome exponential-wall problem for effective structure prediction of chemical-disordered materials 期刊论文
NPJ COMPUTATIONAL MATERIALS, 2023, 卷号: 9, 期号: 1, 页码: 9
作者:  Yuan, Xiaoze;  Zhou, Yuwei;  Peng Q(彭庆);  Yang, Yong;  Li, Yongwang;  Wen, Xiaodong
Adobe PDF(1127Kb)  |  收藏  |  浏览/下载：96/4  |  提交时间：2023/03/20