中国科学院高能物理研究所机构知识库

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	Adsorption of CH3I on Ag(111) and Ag2O(111) surface: A density functional theory study 期刊论文 CHEMICAL PHYSICS, 2018, 卷号: 513, 页码: 35-40 Authors:  Yang, L;  Zhao, YL;  Li, K;  Chen, ZC;  Zhang, P;  Shi, WQ;  Shi WQ(石伟群) Adobe PDF(1351Kb)  |  Favorite  |  View/Download：1/0  |  Submit date：2019/09/24 CH3I molecule  Ag(111)  Ag2O(111)  Surface adsorption  DFT calculation
	First-principles study of water reacting with the (110) surface of uranium mononitride 期刊论文 JOURNAL OF NUCLEAR MATERIALS, 2017, 卷号: 492, 页码: 244-252 Authors:  Bo T(薄涛);  Lan JH(蓝建慧);  Bo, T;  Lan, JH;  Zhao, YL;  He, CH;  Chai, ZF;  Shi, WQ;  Chai ZF(柴之芳);  Shi WQ(石伟群) Adobe PDF(3001Kb)  |  Favorite  |  View/Download：5/0  |  Submit date：2019/08/27 First principles  Uranium mononitride  Surface adsorption  Water  ab initio atomistic thermodynamic
	Surface properties of NpO2 and water reacting with stoichiometric and reduced NpO2 (111), (110), and (100) surfaces from ab initio atomistic thermodynamics 期刊论文 SURFACE SCIENCE, 2016, 卷号: 644, 页码: 153-164 Authors:  Bo T(薄涛);  Lan JH(蓝建慧);  Zhang YJ(张玉娟);  Chai ZF(柴之芳);  Shi WQ(石伟群);  Bo, T;  Lan, JH;  Zhao, YL;  Zhang, YJ;  He, CH;  Chai, ZF;  Shi, WQ Adobe PDF(2198Kb)  |  Favorite  |  View/Download：305/1  |  Submit date：2016/08/29 First principles  Ab initio atomistic thermodynamics  Neptunium dioxide  Surface adsorption  Water
	Adsorption of Radioiodine on Cu2O Surfaces: a First-Principles Density Functional Study 期刊论文 ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 9, 页码: 2264-2270 Authors:  Li, K;  Zhao, YL;  Deng, J;  He, CH;  Ding, SJ;  Shi, WQ;  Shi WQ(石伟群) Adobe PDF(3658Kb)  |  Favorite  |  View/Download：22/0  |  Submit date：2017/07/24 Radioiodine molecule  Cu2O  Surface adsorption  Low-index surface  Density functional theory calculation
	Combined DFT and XPS investigation of iodine anions adsorption on the sulfur terminated (001) chalcopyrite surface 期刊论文 APPLIED SURFACE SCIENCE, 2016, 卷号: 390, 页码: 412-421 Authors:  Li, K;  Zhao, YL;  Zhang, P;  He, CH;  Deng, J;  Ding, SJ;  Shi, WQ;  Shi WQ(石伟群) Adobe PDF(1736Kb)  |  Favorite  |  View/Download：315/3  |  Submit date：2017/07/24 Iodine anions  Chalcopyrite  Surface adsorption  DFT calculations  XPS