• 文献标题:   Buckled graphene: A model study based on density functional theory
  • 文献类型:   Article
  • 作  者:   KHAN MA, MUKADDAM MA, SCHWINGENSCHLOGL U
  • 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:   KAUST
  • 被引频次:   6
  • DOI:   10.1016/j.cplett.2010.08.059
  • 出版年:   2010

▎ 摘  要

We make use of ab initio calculations within density functional theory to investigate the influence of buckling on the electronic structure of single layer graphene. Our systematic study addresses a wide range of bond length and bond angle variations in order to obtain insights into the energy scale associated with the formation of ripples in a graphene sheet. (C) 2010 Elsevier B. V. All rights reserved.