Theoretical Investigations of the Oxygen Reduction Reaction on Pt(111)

• Published in: Chemphyschem Vol. 11; no. 13; pp. 2779 - 2794
• Main Authors: Keith, John A., Jerkiewicz, Gregory, Jacob, Timo
• Format: Journal Article
• Language: English
• Published: Weinheim WILEY-VCH Verlag 10.09.2010; WILEY‐VCH Verlag; Wiley
• Subjects: Chemistry; computer chemistry; Computer Simulation; density functional calculations; Electrochemistry; electrode potentials; Electrodes; Exact sciences and technology; General and physical chemistry; Oxidation-Reduction; Oxygen - chemistry; oxygen reduction; Platinum - chemistry; Quantum Theory; Surface Properties; Oxygen; electrode potentials; Crystal face; Transition metal; Review; oxygen reduction; Chemical reduction; Computational chemistry; density functional calculations; Platinum; computer chemistry; Electrochemistry; Density functional method; Electrode potential

Computational modeling can provide important insights into chemical reactions in both applied and fundamental fields of research. One of the most critical processes needed in practical renewable energy sources is the oxygen reduction reaction (ORR). Besides being the key process in combustion and co...