A study of small gold clusters on stoichiometric and defected TiO2 anatase (101) and their interaction with CO using density functional calculations was presented. The basic features of the gold-surface interactions were described, which were of key importance to understand the behavior of titania-supported gold catalysts. The results obtained were in agreement with gas-phase experiments and the interaction was weaker with supported clusters carrying a negative charge.
All Science Journal Classification (ASJC) codes
- Atomic and Molecular Physics, and Optics