Theoretical Studies of Potential‐Dependent and Competing Mechanisms of the Electrocatalytic Oxygen Reduction Reaction on Pt(111)

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.