• 文献标题:   Impact of the metal substrate on the electronic structure of armchair graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   STEINKASSERER LEM, PAULUS B, VOLOSHINA E
  • 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:   Free Univ Berlin
  • 被引频次:   3
  • DOI:   10.1016/j.cplett.2014.02.038
  • 出版年:   2014

▎ 摘  要

Plane-wave DFT methods including semi-empirical dispersion correction are used to study in detail the interaction of different types of armchair graphene nanoribbons with Ag(111) and Au(111) surfaces. It is found that the two substrates show considerable differences in their interaction with the nanoribbons, resulting in notably different doping behavior for Au(111) and Ag(111). The obtained results are compared with the available experimental data. (C) 2014 Elsevier B.V. All rights reserved.