Theoretical Approaches to Describing the Oxygen Reduction Reaction Activity of Single-Atom Catalysts
Author(s) -
Anjli M. Patel,
Stefan Ringe,
Samira Siahrostami,
Michal Bajdich,
Jens K. Nørskov,
Ambarish Kulkarni
Publication year - 2018
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.8b09430
Subject(s) - solvation , density functional theory , hybrid functional , benchmark (surveying) , catalysis , implicit solvation , atom (system on chip) , oxygen reduction reaction , electronic structure , coupled cluster , chemistry , reduction (mathematics) , materials science , computational chemistry , chemical physics , molecule , statistical physics , computer science , physics , mathematics , organic chemistry , geometry , geodesy , electrode , electrochemistry , geography , embedded system
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