• 文献标题:   Transformation of graphene into graphane in the absence of hydrogen
  • 文献类型:   Article
  • 作  者:   BARNARD AS, SNOOK IK
  • 作者关键词:  
  • 出版物名称:   CARBON
  • ISSN:   0008-6223 EI 1873-3891
  • 通讯作者地址:   RMIT Univ
  • 被引频次:   25
  • DOI:   10.1016/j.carbon.2009.11.015
  • 出版年:   2010

▎ 摘  要

Density functional based tight binding simulations were used to explore the fundamental charging of graphene nanoflakes, either by an electron-beam or electric current, to determine the effective failure limit with respect to induced charge. During this study we find that the failure limit of graphene is sufficiently high as to pose no problem to the operation of graphene-based electronic devices, but that localized regions may be transformed from an sp(2)-bonded into an sp(3)-bonded material before the failure limit. These regions are consistent with the carbon framework observed in graphane, but occur in the absence of hydrogen. (C) 2009 Elsevier Ltd. All rights reserved.