• 文献标题:   Tuning electronic and magnetic properties of partially hydrogenated graphene by biaxial tensile strain: a computational study
  • 文献类型:   Article
  • 作  者:   SONG EH, ALI G, YOO SH, JIANG Q, CHO SO
  • 作者关键词:   graphene, band gap, magnetism, strain
  • 出版物名称:   NANOSCALE RESEARCH LETTERS
  • ISSN:   1931-7573 EI 1556-276X
  • 通讯作者地址:   Korea Adv Inst Sci Technol
  • 被引频次:   1
  • DOI:   10.1186/1556-276X-9-491
  • 出版年:   2014

▎ 摘  要

Using density functional theory calculations, we have investigated the effects of biaxial tensile strain on the electronic and magnetic properties of partially hydrogenated graphene (PHG) structures. Our study demonstrates that PHG configuration with hexagon vacancies is more energetically favorable than several other types of PHG configurations. In addition, an appropriate biaxial tensile strain can effectively tune the band gap and magnetism of the hydrogenated graphene. The band gap and magnetism of such configurations can be continuously increased when the magnitude of the biaxial tensile strain is increased. This fact that both the band gap and magnetism of partially hydrogenated graphene can be tuned by applying biaxial tensile strain provides a new pathway for the applications of graphene to electronics and photonics.