• 文献标题:   Geometrical and magnetic properties of vanadium clusters supported on graphene
  • 文献类型:   Article
  • 作  者:   ZOU Y, ZHAN CY, WU JC, ZHOU LP, DA HX
  • 作者关键词:   vanadium cluster, graphene, geometrical propertie, magnetic propertie
  • 出版物名称:   JOURNAL OF THE KOREAN PHYSICAL SOCIETY
  • ISSN:   0374-4884
  • 通讯作者地址:   Sichuan Univ
  • 被引频次:   2
  • DOI:   10.3938/jkps.63.225
  • 出版年:   2013

▎ 摘  要

We report ab-initio calculations of vanadium-cluster V (n) (n = 2-5) adsorption on graphene sheets. Geometrical and magnetic properties of various adsorption configurations are studied using first-principles density-functional theory with the generalized gradient approximation. The geometrical and magnetic properties of vanadium clusters are found to be size-dependent, and the supported graphene sheet could influence the formation of the vanadium clusters. Low-dimensional V (n) cluster configurations could be easily formed when they are absorbed on a graphene sheet, and the combined V (n) -graphene systems exhibit a nonmagnetic state, which is the most stable magnetic configuration. Our calculations for the geometrical and the magnetic moment properties of V (n) -graphene systems may be of interest for some nanotechnological applications.