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First-principles investigation on the geometries, stabilities and defective properties of fluoride surfaces 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 133, 页码: 159-166
Authors:  Han, H;  Yin, G;  Wang, H;  Wang, CY;  Shao, K;  Zhang, W;  Dai, JX;  Huai, P
View  |  Adobe PDF(2530Kb)  |  Favorite  |  View/Download:71/19  |  Submit date:2017/12/08
Metal Fluoride  First-principles  Surface Property  Density Functional Calculation  
Adsorption and diffusion of fluorine on Cr-doped Ni(111) surface: Fluorine-induced initial corrosion of non-passivated Ni-based alloy 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2016, 卷号: 478, 页码: 295-302
Authors:  Ren, CL;  Han, H;  Gong, WB;  Wang, CB;  Zhang, W;  Cheng, C;  Huai, P;  Zhu, ZY;  Huai, P (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
View  |  Adobe PDF(2015Kb)  |  Favorite  |  View/Download:47/1  |  Submit date:2017/03/02
Ni-based Alloy  Initial Corrosion Mechanism  Fluorine Adsorption And Diffusion  Density Functional Theory Calculation