• 文献标题:   Atomistic modeling of the directed-assembly of bimetallic Pt-Ru nanoclusters on Ru(0001)-supported monolayer graphene
  • 文献类型:   Article
  • 作  者:   HAN Y, ENGSTFELD AK, BEHM RJ, EVANS JW
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF CHEMICAL PHYSICS
  • ISSN:   0021-9606
  • 通讯作者地址:   Iowa State Univ
  • 被引频次:   9
  • DOI:   10.1063/1.4798348
  • 出版年:   2013

▎ 摘  要

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