Adsorption and Diffusion of Hydrogen Atoms on PtO2 Surface
收藏科学数据银行2022-11-24 更新2026-04-23 收录
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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：
Institute of Solid State Physics; Hefei Institutes of Physical Science
创建时间：
2022-09-24
