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

TitleAtomistic modeling of the directed-assembly of bimetallic Pt-Ru nanoclusters on Ru(0001)-supported monolayer graphene
Publication TypeJournal Article
Year of Publication2013
AuthorsHan, Y, Engstfeld, AK, Behm, RJ, Evans, JW
JournalJournal of Chemical Physics
Volume138
Pagination134703
Date Published04
Type of ArticleArticle
ISBN Number0021-9606
Accession NumberWOS:000317788500047
Keywordsbasis-set, bilayer, cluster growth, film growth, island growth, metal, ru(0001), scanning-tunneling-microscopy, size, total-energy calculations, wave
Abstract

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. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4798348]

DOI10.1063/1.4798348
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Short TitleJ. Chem. Phys.