• 文献标题:   Intrinsic and extrinsic strain induced structural change of zigzag graphene nanoribbon
  • 文献类型:   Article
  • 作  者:   ZHANG ZY, GUO WL
  • 作者关键词:  
  • 出版物名称:   PHYSICS LETTERS A
  • ISSN:   0375-9601 EI 1873-2429
  • 通讯作者地址:   Nanjing Univ Aeronaut Astronaut
  • 被引频次:   1
  • DOI:   10.1016/j.physleta.2012.10.057
  • 出版年:   2012

▎ 摘  要

When a graphene nanoribbon with zigzag edges is doped by a foreign element X, an intrinsic strain will be inevitable introduced into the doped system, which can induce structural change of the system. We find by first-principles calculations that doped nanoribbons could fold at the doping site for n-type dopants and the X-C bonds elongated substantially when X are p-type dopants. The height of apophysis and the length of X-C bonds can be modulated by doping charge states and the extrinsic strains in different directions. We have proposed a model of volume change unexpected contrary with the common expectation to explain this unusual behavior in ribbon structures. Crown Copyright (C) 2012 Published by Elsevier B.V. All rights reserved.