• 文献标题:   Electronic and magnetic properties of chevron-type graphene nanoribbon edge-terminated by oxygen atoms
  • 文献类型:   Article
  • 作  者:   FA W, ZHOU J
  • 作者关键词:   chevrontype graphene nanoribbon, o termination, magnetic propertie, firstprinciple calculation
  • 出版物名称:   PHYSICS LETTERS A
  • ISSN:   0375-9601 EI 1873-2429
  • 通讯作者地址:   Nanjing Univ
  • 被引频次:   4
  • DOI:   10.1016/j.physleta.2012.11.009
  • 出版年:   2012

▎ 摘  要

The electronic and magnetic properties of the O-terminated chevron-type zigzag-edge graphene nanoribbons (CZGNR) connected by two different kinds of kink angles (120 degrees or 60 degrees) have been investigated by the first-principle calculations. It is found that the O termination on the CZGNR induces the richer electronic and magnetic features than on the straight zigzag-edge graphene nanoribbons, which are sensitive to their widths, lengths, and kink angles. Interestingly, asymmetric edge terminations with O and H atoms can be used to produce some ferromagnetic semiconductors of CZGNR. giving a new approach to tailor the GNR's properties and designing the carbon-based magnetic materials. (C) 2012 Elsevier B.V. All lights reserved.