Open AccessFavorable Role of the Metal–Support Perimeter Region in Electrochemical NH3 Synthesis: A Density Functional Theory Study on Ru/BaCeO3
Author(s) -
Atsushi Ishikawa,
Fumiya Murase,
Yoshitaka Tateyama,
Junichiro Otomo
Publication year - 2022
Publication title -
acs omega
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.779
H-Index - 40
ISSN - 2470-1343
DOI - 10.1021/acsomega.2c01222
Subject(s) - moiety , gibbs free energy , density functional theory , chemistry , catalysis , electrochemistry , activation energy , adsorption , reaction mechanism , proton , inorganic chemistry , computational chemistry , thermodynamics , stereochemistry , physics , electrode , biochemistry , quantum mechanics
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