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	Manipulate photocatalytic overall water splitting performance of the Sc2CCl2/SiSe heterostructure by S impurity: Insight from Gibbs free energy and carrier nonadiabatic dynamics 期刊论文 APPLIED SURFACE SCIENCE, 2024, 卷号: 678, 页码: 161057 Authors:  Liu, Miao;  Yang, Chuan-Lu;  Li, Xiaohu;  Zhao, Wenkai;  Li, Yongqing Adobe PDF(10103Kb)  |  Favorite  |  View/Download：8/1  |  Submit date：2024/11/27 Impurity  vdW heterostructure  Proceed spontaneously  Photocatalytic overall water splitting  Nonadiabatic dynamic
	Exploring the impacts of Li and He impurities in a tungsten matrix: A First-Principles study 期刊论文 NUCLEAR MATERIALS AND ENERGY, 2024, 卷号: 39, 页码: 101632 Authors:  Liang, Jia-Cheng;  Yang, Chuan-Lu;  Wang, Xue-Lin Adobe PDF(5774Kb)  |  Favorite  |  View/Download：5/0  |  Submit date：2024/05/23 Plasma -facing materials  Impurity  Self -trapping  Mechanical properties  First -principles