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Data · dataset · 2022

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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Provenance · 1 source records, 12 field assertions
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ScienceDB10.57760/sciencedb.j00001.0074912 d agoJSON v1
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