Importance of the gas-phase error correction for O2 when using DFT to model the oxygen reduction and evolution reactions
- Sargeant, E.
- Illas, F.
- Rodríguez, P.
- Calle-Vallejo, F.
Journal:
Journal of Electroanalytical Chemistry
ISSN: 1572-6657
Year of publication: 2021
Volume: 896
Type: Article