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A kinetic Monte Carlo study of Pt on Au(111) with applications to bimetallic catalysis Zoontjens, P, Grochola, G, Snook, I and Russo, S 2011, 'A kinetic Monte Carlo study of Pt on Au(111) with applications to bimetallic catalysis', Journal of Physics-Condensed Matter, vol. 23, no. 1, pp. 1-11. Document type: Journal Article Collection: Journal Articles Title A kinetic Monte Carlo study of Pt on Au(111) with applications to bimetallic catalysis Author(s) Zoontjens, P Grochola, G Snook, I Russo, S Year 2011 Journal name Journal of Physics-Condensed Matter Volume number 23 Issue number 1 Start page 1 End page 11 Total pages 11 Publisher Institute of Physics Publishing Ltd. Abstract Pt-decorated Au nanostructures and bimetallic PtAu nanoparticles have been shown to act as catalysts. Consequently we investigate the formation of extended Pt decorations of an Au island edge on Au(111) as possible catalysts. The investigation is by simulation using the kinetic Monte Carlo method. The effects of varying the rate of deposition of Pt atoms and the simulation temperature on the morphology of the resulting Pt nanostructures were investigated. The thickness and roughness of the nanostructures are readily influenced, with temperature being the more important factor. A combination of both high temperature and low deposition rate was the most effective at reducing the roughness. PtAu alloying in the Au island edge was identified. This work is (to the best of our knowledge) the first kinetic Monte Carlo simulation study of the formation of Pt nanostructures on Au. We demonstrate how the morphology of the Pt nanostructures can be controlled. The nanostructures studied here, comprising an adjustable mix of Pt overlayers and novel 1D PtAu surface alloys, are expected to be of considerable interest as potential bimetallic nano-catalysts. Subject Condensed Matter Modelling and Density Functional Theory Keyword(s) Au islands Au nanostructure Au(1 1 1 ) Bimetallic catalysis Bimetallic Pt-Au nanoparticles High temperature Kinetic Monte Carlo Kinetic Monte Carlo methods Kinetic Monte Carlo simulation Nanocatalysts Overlayers Pt atoms Rate of deposition Simulation temperature Surface alloys DOI - identifier 10.1088/0953-8984/23/1/015302 Copyright notice © 2011 IOP Publishing Ltd. ISSN 0953-8984 Related Links Link Description http://dx.doi.org/10.1088/0953-8984/23/1/015302 Link to Published Version   Versions Version Filter Type Fri, 07 Oct 2011, 10:12:41 EST Wed, 18 Jun 2014, 20:54:52 EST Filtered Full Citation counts:   Cited 3 times in Thomson Reuters Web of Science Article | Citations Cited 3 times in Scopus Article | Citations Altmetric details: Access Statistics: 238 Abstract Views  -  Detailed Statistics Created: Fri, 07 Oct 2011, 08:50:00 EST by Catalyst Administrator