• 文献标题:   Structures of Pt clusters on graphene by first-principles calculations
  • 文献类型:   Article
  • 作  者:   OKAZAKIMAEDA K, MORIKAWA Y, TANAKA S, KOHYAMA M
  • 作者关键词:   platinum, graphene, catalyst, firstprinciples calculation, pseudopotential, fuel cell
  • 出版物名称:   SURFACE SCIENCE
  • ISSN:   0039-6028
  • 通讯作者地址:   Osaka Univ
  • 被引频次:   63
  • DOI:   10.1016/j.susc.2009.11.001
  • 出版年:   2010

▎ 摘  要

The interactions between Pt(n) clusters (n = 7) via the deformation of the planar configuration so as to attain the planar-edge/graphene contact. For much larger clusters (n >= 10), the adsorption as a 3D cluster becomes the most stable due to the stability of the 3D configuration itself as well as substantial Pt-C interactions of edge or corner Pt atoms. The interfacial interaction between a Pt cluster and graphene seriously depends on the shape and size of a cluster and the manner of contact on a graphene sheet. (C) 2009 Elsevier B.V. All rights reserved.