• 文献标题:   Effects of N-doping concentration on graphene structures and properties
  • 文献类型:   Article
  • 作  者:   YIN W, JIA TT, GUO X, HUANG X, ZHANG YF, CHEN WK
  • 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:   Fuzhou Univ
  • 被引频次:   7
  • DOI:   10.1016/j.cplett.2013.07.014
  • 出版年:   2013

▎ 摘  要

By means of density functional theory, N-doping concentration effects on graphene and alone Pt atom adsorption on N-doping graphene with various N-doping concentrations have been investigated. We found that N dopant atoms tended to be distributed in para positions and alone Pt atom was always adsorbed in the upside of C-C bridge site around the N dopant atoms. Furthermore, we inferred that N-doped graphene with dosage concentration higher than 8/32 would be hard to be prepared. In addition, the enhancement of Pt 6s and C 2p orbital bonding interaction improved the ability of Pt atom adsorption on N-doped graphene. (C) 2013 Elsevier B.V. All rights reserved.