• 文献标题:   Lattice distortion and electron charge redistribution induced by defects in graphene
  • 文献类型:   Article
  • 作  者:   ZHANG W, LU WC, ZHANG HX, HO KM, WANG CZ
  • 作者关键词:  
  • 出版物名称:   CARBON
  • ISSN:   0008-6223 EI 1873-3891
  • 通讯作者地址:   Jilin Univ
  • 被引频次:   3
  • DOI:   10.1016/j.carbon.2016.09.031
  • 出版年:   2016

▎ 摘  要

Lattice distortion and electronic charge localization induced by vacancy and embedded-atom defects in graphene were studied by tight-binding (TB) calculations using the recently developed three-center TB potential model. We showed that the formation energies of the defects are strongly correlated with the number of dangling bonds and number of embedded atoms, as well as the magnitude of the graphene lattice distortion induced by the defects. We also showed that the defects introduce localized electronic states in the graphene which would affect the electron transport properties of graphene. (C) 2016 Elsevier Ltd. All rights reserved.