First principles calculations on the stoichiometric and defective (101) anatase surface and upon hydrogen and H 2 Pc adsorption: The influence of electronic exchange and correlation and of basis set approximations
- Martínez-Casado, R.
- Todorović, M.
- Mallia, G.
- Harrison, N.M.
- Pérez, R.
Journal:
Frontiers in Chemistry
ISSN: 2296-2646
Year of publication: 2019
Volume: 7
Issue: MAR
Type: Article