Gibbs Energy of Hydrogen Adsorption on Pt Surface by Machine Learning Potential and Metadynamics
Author(s) -
Akihide Hayashi,
Yoshinori Ato,
Akira Yamamoto,
Hisao Yoshida,
Shusuke Yamanaka,
Takashi Kawakami,
Mitsutaka Okumura
Publication year - 2021
Publication title -
chemistry letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.492
H-Index - 114
eISSN - 1348-0715
pISSN - 0366-7022
DOI - 10.1246/cl.210137
Subject(s) - metadynamics , chemistry , adsorption , hydrogen , gibbs free energy , potential energy surface , molecular dynamics , ethylene , chemical physics , thermodynamics , computational chemistry , molecule , catalysis , organic chemistry , physics
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