Atomistic modeling of the directed-assembly of bimetallic Pt-Ru nanoclusters on Ru(0001)-supported monolayer graphene

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2013-01-01
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Han, Yong
Engstfeld, Albert
Behm, R.
Evans, James
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Evans, James
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Physics and Astronomy
Physics and astronomy are basic natural sciences which attempt to describe and provide an understanding of both our world and our universe. Physics serves as the underpinning of many different disciplines including the other natural sciences and technological areas.
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Ames National LaboratoryPhysics and Astronomy
Abstract

The formation of Pt-Ru nanoclusters (NCs) by sequential deposition of Pt and Ru on a periodically rumpled graphene sheet supported on Ru(0001) is analyzed by atomistic-level modeling and kinetic Monte Carlo simulations. The “coarse-scale” periodic variation of the adsorption energy of metal adatoms across the graphene sheet directs the assembly of NCs to a periodic array of thermodynamically preferred locations. The modeling describes not only just the NC densities and size distributions, but also the composition distribution for mixed NCs. A strong dependence of these quantities on the deposition order is primarily related to different effective mobilities of Pt and Ru on the supported graphene.

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The following article appeared in Journal of Chemical Physics 138,13 (2013): 134703 and may be found at doi:10.1063/1.4798348.

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Tue Jan 01 00:00:00 UTC 2013
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