中国科学院计算技术研究所机构知识库

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	Anisotropic to Isotropic Transition in Monolayer Group-IV Tellurides 期刊论文 MATERIALS, 2021, 卷号: 14, 期号: 16, 页码: 12 作者:  Wang, Qian;  Wu, Liyuan;  Urban, Alexander;  Cao, Huawei;  Lu, Pengfei 收藏  |  浏览/下载：45/0  |  提交时间：2021/12/01 two-dimensional materials  group-IV tellurides  anisotropic structure
	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：46/0  |  提交时间：2021/12/01 Density functional theory  Platinum and palladium dichalcogenides  Single-atom doping  Hydrogen evolution reaction
	Electronic and Topological Properties of Ultraflat Stanene Functionalized by Hydrogen and Halogen Atoms 期刊论文 JOURNAL OF ELECTRONIC MATERIALS, 2021, 页码: 7 作者:  Zhao, Huiyan;  Zhu, Pengfei;  Wang, Qian;  Cao, Huawei;  Wu, Ge;  Hao, Jinbo;  Han, Lihong;  Wu, Liyuan;  Lu, Pengfei 收藏  |  浏览/下载：43/0  |  提交时间：2021/12/01 Ultraflat stanene  first-principles calculations  functionalization  electronic and topological properties
	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：47/0  |  提交时间：2021/12/01 Group III nitrides  First-principles  Bulk modulus  Defect levels  Formation energies