Small gold clusters on stoichiometric and defected TiO2 anatase (101) and their interaction with CO: A density functional study

Andrea Vittadini, Annabella Selloni

Research output: Contribution to journalArticle

122 Scopus citations

Abstract

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.

Original languageEnglish (US)
Pages (from-to)353-361
Number of pages9
JournalJournal of Chemical Physics
Volume117
Issue number1
DOIs
StatePublished - Jul 1 2002

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics

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