Predicted Oxidation of CO Catalyzed by Au Nanoclusters on a Thin Defect-Free MgO Film Supported on a Mo(100) Surface

Details Predicted Oxidation of CO Catalyzed by Au Nanoclusters on a Thin Defect-Free MgO Film Supported on a Mo(100) Surface Predicted Oxidation of CO Catalyzed by Au Nanoclusters on a Thin Defect-Free MgO Film Supported on a Mo(100) Surface

2011-02-15

arxiv.org/abs/1102.3011v1

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129, 2228 (2007)

Physics

Condensed Matter

Materials Science

2 pages, 2 figures

Scientific paper

Here we show results of first-principles investigations aiming at tuning and controlling the catalytic activity of gold nanoclusters through the design of the underlying support. We show that gold clusters adsorbed on a very thin (2 layers) defect-free MgO film which is itself supported on Mo(100), may serve as model catalysts for the low-barrier oxidation of CO. The origin of the emergent activity of the nanoclusters is a dimensionality crossover of the adsorbed gold clusters, from inactive three-dimensional (3D) optimal structures on thick MgO films, to catalytically active 2D ones for sufficiently thin MgO films (less then 1nm in thickness) supported on Mo(100).

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