Theoretical Study of Hydrogen on LaFeO₃ (010) Surface Adsorption and Subsurface Diffusion.

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第一作者： Changchang,Pan

第一单位： School of Science, Lanzhou University of Technology, Lanzhou 730050, China. ccpanzw@163.com.

作者： Changchang,Pan ^[1] ; Yuhong,Chen ^[2] ; Meiling,Zhang ^[3] ; Lihua,Yuan ^[4] ; Cairong,Zhang ^[5]

作者单位： School of Science, Lanzhou University of Technology, Lanzhou 730050, China. ccpanzw@163.com. ^[1] State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals, Lanzhou University of Technology, Lanzhou 730050, China. ccpanzw@163.com. ^[2] CAS Key Laboratory of Design and Assembly of Functional Nanostructures, and Fujian Provincial Key Laboratory of Nanomaterials, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China. ccpanzw@163.com. ^[3] School of Science, Lanzhou University of Technology, Lanzhou 730050, China. chenyh@lut.cn. ^[4] State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals, Lanzhou University of Technology, Lanzhou 730050, China. chenyh@lut.cn. ^[5] School of Science, Lanzhou University of Technology, Lanzhou 730050, China. zhangml_2000@126.com. ^[6] School of Science, Lanzhou University of Technology, Lanzhou 730050, China. yuanlh@lut.cn. ^[7] School of Science, Lanzhou University of Technology, Lanzhou 730050, China. zhcrxy@lut.cn. ^[8] State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals, Lanzhou University of Technology, Lanzhou 730050, China. zhcrxy@lut.cn. ^[9]

关键词 LaFeO3 density functional theory subsurface occupy surface adsorption transition state

DOI 10.3390/ma11122347

PMID 30469483

发布时间 2020-10-01

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