• 文献标题:   Functionalization of graphene with transition metals
  • 文献类型:   Article, Proceedings Paper
  • 作  者:   ZOLYOMI V, RUSZNYAK A, KOLTAI J, KURTI J, LAMBERT CJ
  • 作者关键词:   adsorption, binding energy, functionalization, graphene, transition metal
  • 出版物名称:   PHYSICA STATUS SOLIDI BBASIC SOLID STATE PHYSICS
  • ISSN:   0370-1972 EI 1521-3951
  • 通讯作者地址:   Univ Lancaster
  • 被引频次:   8
  • DOI:   10.1002/pssb.201000168
  • 出版年:   2010

▎ 摘  要

We study the strength of the binding of 4d and 5d transition metals on a graphene sheet in the limit of low- and high-coverage using first principles density functional theory. A database of the binding energies is presented. Our result show that Mo, Hf, Ta, and W bind strongest to the graphene sheet. We find a charge transfer of approximate to 0.01 electrons; per carbon atom from the transition metal to the graphene sheet. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim