Influence of Fe and Ni Doping on the OER Performance at the Co3O4(001) Surface: Insights from DFT+U Calculations

By Yuman Peng, Hamidreza Hajiyani, R. Pentcheva. 2021

156 citations recorded by the source corpus.

Using density functional theory calculations with an on-site Hubbard U term, we study the oxygen evolution reaction (OER) at the Co3O4(001) surface. The stability of different surface terminations ...

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

View Paper: https://www.semanticscholar.org/paper/d8ee4279a3cc845df00e7d63b60afa56ddfd8935