Modelling the Activity Trend of Hydrogen Oxidation Reaction under Constant Potential Conditions
Abstract
A microkinetic model is constructed for the electrocatalytic alkaline hydrogen oxidation reaction based on grand canonical density functional theory calculations and linear relationships with the adsorption energies of hydrogen and hydroxide as descriptors. Using this model, activity trend suitable for efficient catalyst screening has been identified.
- This article is part of the themed collection: ChemComm 60th Anniversary Collection