Water-Enhanced Catalysis of CO Oxidation on Free and Supported Gold Nanoclusters
- 1 September 2005
- journal article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 95 (10), 106102
- https://doi.org/10.1103/physrevlett.95.106102
Abstract
The enhancement by water molecules of the catalytic activity of gas-phase and supported gold nanoclusters toward CO oxidation is investigated with first-principles calculations. Coadsorption of H(2)O and O(2) leads to formation of a complex well bound to the gold cluster, even on a defect-free MgO(100) support. Formation of the complex involves partial proton sharing between the adsorbates, that in certain configurations results in proton transfer leading to the appearance of a hydroperoxyl-like complex. The O-O bond is activated, leading to a weakened peroxo or superoxolike state, and consequently the reaction with CO to form CO2 occurs with a small activation barrier of approximately 0.5 eV. A complete catalytic cycle of the water-enhanced CO oxidation is discussed.Keywords
This publication has 28 references indexed in Scilit:
- Charging Effects on Bonding and Catalyzed Oxidation of CO on Au 8 Clusters on MgOScience, 2005
- Structural, Electronic, and Impurity‐Doping Effects in Nanoscale Chemistry: Supported Gold NanoclustersAngewandte Chemie International Edition, 2003
- Performance of Au/TiO2 catalyst under ambient conditionsCatalysis Today, 2001
- Moisture Effect on CO Oxidation over Au/TiO2 CatalystJournal of Catalysis, 2001
- When Gold Is Not Noble: Nanoscale Gold CatalystsThe Journal of Physical Chemistry A, 1999
- Catalysis by GoldCatalysis Reviews, 1999
- Catalysis and Surface SciencePhysics Today, 1999
- Onset of Catalytic Activity of Gold Clusters on Titania with the Appearance of Nonmetallic PropertiesScience, 1998
- Surface studies of supported model catalystsSurface Science Reports, 1998
- Size- and support-dependency in the catalysis of goldCatalysis Today, 1997