• 文献标题:   Interaction between graphene and nickel(111) surfaces with commensurate and incommensurate orientational relationships
  • 文献类型:   Article
  • 作  者:   SHIBUTA Y, ELLIOTT JA
  • 作者关键词:  
  • 出版物名称:   CHEMICAL PHYSICS LETTERS
  • ISSN:   0009-2614 EI 1873-4448
  • 通讯作者地址:   Univ Tokyo
  • 被引频次:   12
  • DOI:   10.1016/j.cplett.2012.04.048
  • 出版年:   2012

▎ 摘  要

The interaction energy between a rigid defect-free graphene sheet and a fixed Ni(111) surface with respect to rotational and translational displacements is examined using an empirical bond order potential. The Rosei (hollow site) structure, and others in which metal atoms are adjacent to hollow sites in graphene, give rise to global and local energy minima, respectively, whereas the interaction energy is almost constant for incommensurate structures. Only a few degrees rotation from the Rosei structure substantially diminishes the energy barrier for translational displacement. (C) 2012 Elsevier B.V. All rights reserved.