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arXiv · 1102.3011

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

Chun Zhang·Bokwon Yoon·Uzi Landman
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Abstract

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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Chun Zhang, Bokwon Yoon, Uzi Landman. 2011-02-15. Predicted Oxidation of CO Catalyzed by Au Nanoclusters on a Thin Defect-Free MgO Film Supported on a Mo(100) Surface. https://arxiv.org/abs/1102.3011

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