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

Andrea Vittadini; Annabella Selloni

doi:10.1063/1.1481376

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 journal › Article › peer-review

135 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 language	English (US)
Pages (from-to)	353-361
Number of pages	9
Journal	Journal of Chemical Physics
Volume	117
Issue number	1
DOIs	https://doi.org/10.1063/1.1481376
State	Published - Jul 1 2002

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1481376

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

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.",

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AB - 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.

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

Abstract

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