• 文献标题:   Opening a large band gap for graphene by covalent addition
  • 文献类型:   Article
  • 作  者:   GAO XF, WEI ZQ, MEUNIER V, SUN YY, ZHANG SBB
  • 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:   Chinese Acad Sci
  • 被引频次:   13
  • DOI:   10.1016/j.cplett.2012.10.069
  • 出版年:   2013

▎ 摘  要

Here we establish a fundamental principle to open a relatively large band gap for graphene by hydrogenation. Specifically, the large band gap can be obtained when the number of nonmagnetic sp(2)-substructures on graphene basal plane is maximized. The principle indicates unequivocally what additive patterning should be used to attain the largest band gap for a given addition coverage. According to this principle, the graphene band gap can be continuously tuned from 0 to 5.2 eV. These findings may open a door to create graphene-based nanosystems with desired band gaps, and will become a significant foundation for graphene nanotechnology applications. (C) 2012 Elsevier B.V. All rights reserved.