Insights into the Electrochemical Oxygen Evolution Reaction with ab Initio Calculations and Microkinetic Modeling: Beyond the Limiting Potential Volcano

By Colin F. Dickens, Charlotte S. Kirk, Jens K. Nørskov. Journal of Physical Chemistry C, 2019

198 citations recorded by the source corpus.

Density functional theory calculations are potentially useful for both understanding the activity of experimentally tested catalysts and screening for new catalyst materials. For electrochemical ox...

Subfields: Electrochemistry, Materials Chemistry, Renewable Energy, Sustainability and the Environment

View Paper: https://www.semanticscholar.org/paper/b0c5e4d5b30d23153a9addc1a81cb84ef1b69f23