Adsorption and Diffusion of Hydrogen Atoms on PtO2 Surface
收藏官方服务：
资源简介：
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.
提供机构：
Science Data Bank创建时间：
2022-11-24
