Premium
Theoretical Studies of Potential‐Dependent and Competing Mechanisms of the Electrocatalytic Oxygen Reduction Reaction on Pt(111)
Author(s) -
Keith John A.,
Jacob Timo
Publication year - 2010
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201004794
Subject(s) - oxygen reduction reaction , reaction mechanism , kinetics , chemistry , oxygen reduction , reduction (mathematics) , electrocatalyst , mechanism (biology) , oxygen , chemical kinetics , computational chemistry , catalysis , electrochemistry , electrode , physics , biochemistry , organic chemistry , mathematics , quantum mechanics , geometry
This way ORR that : Theoretical investigations on the oxygen reduction reaction (ORR) mechanism using first‐principles quantum chemistry are presented. Explicit analysis of potential‐dependent mechanisms shows how subtle changes in conditions alter ORR reaction processes. Importantly, a kinetics‐based model reproduces experimental observations for products and quantitative potential ranges.