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Hydrogen evolution reaction on in-plane platinum and palladium dichalcogenides via single-atom doping 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2021, 卷号: 46, 期号: 35, 页码: 18294-18304
作者:  Liu, Gang;  Li, Jingjing;  Dong, Chao;  Wu, Liyuan;  Liang, Dan;  Cao, Huawei;  Lu, Pengfei
收藏  |  浏览/下载:37/0  |  提交时间:2021/12/01
Density functional theory  Platinum and palladium dichalcogenides  Single-atom doping  Hydrogen evolution reaction  
Investigation of native defects and impurities in X-N (X = Al, Ga, In) 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 188, 页码: 9
作者:  Chen, Yingjie;  Wu, Liyuan;  Liang, Dan;  Lu, Pengfei;  Wang, Jianjun;  Chen, Jun;  Cao, Huawei;  Han, Lihong
收藏  |  浏览/下载:39/0  |  提交时间:2021/12/01
Group III nitrides  First-principles  Bulk modulus  Defect levels  Formation energies