Adsorption and Diffusion of Hydrogen Atoms on PtO2 Surface
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Typical configurations of hydrogen atom adsorption and diffusion on PtO2(001) surface, DFPT calculation of corresponding adsorption energy and zero-point energy, optimal energy path determined based on elastic band method and vdW-DF correction data, classical and quantum tunneling probability calculation.
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Science Data Bank创建时间：
2022-11-24
