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

  1. Martínez-Casado, R.
  2. Todorović, M.
  3. Mallia, G.
  4. Harrison, N.M.
  5. Pérez, R.
Journal:
Frontiers in Chemistry

ISSN: 2296-2646

Year of publication: 2019

Volume: 7

Issue: MAR

Type: Article

DOI: 10.3389/FCHEM.2019.00220 GOOGLE SCHOLAR lock_openOpen access editor