• 文献标题:   Density-functional calculations of graphene interfaces with Pt(111) and Pt(111)/Ru-ML surfaces
  • 文献类型:   Article
  • 作  者:   OKAMOTO Y
  • 作者关键词:  
  • 出版物名称:   CHEMICAL PHYSICS LETTERS
  • ISSN:   0009-2614
  • 通讯作者地址:   NEC Corp Ltd
  • 被引频次:   17
  • DOI:   10.1016/j.cplett.2005.03.123
  • 出版年:   2005

▎ 摘  要

Density-functional calculations were performed to examine the interface between graphene and a Pt(1 1 1) or Pt(1 1 1)/Ru-ML surface. Interfacial Ru atoms were found to make the interface more stable and carbon vacancies on graphene enhanced the interaction between graphene and multi-layer metal surfaces. The CO chemisorption energy on metal surfaces on graphene was calculated to clarify the effect of the catalyst carrier. (c) 2005 Elsevier B.V. All rights reserved.