• 文献标题:   Pressure induced phase transition and band gap controlling in defective graphene mono-sheet: Density functional theory
  • 文献类型:   Article
  • 作  者:   TALLA JA
  • 作者关键词:   graphene monosheet, stone wales defect, electrical propertie, uniaxial pressure, density functional theory
  • 出版物名称:   MATERIALS RESEARCH EXPRESS
  • ISSN:  
  • 通讯作者地址:   Al Al Bayt Univ
  • 被引频次:   6
  • DOI:   10.1088/2053-1591/ab4408
  • 出版年:   2019

▎ 摘  要

The electronic properties of defective graphene mono-sheet under external pressure were investigated. Density functional theory was implemented to investigate the band gap variations of defective graphene mono-layer under uniaxial systematic and symmetric stress and strain. Besides, the obtained band gap is more controllable compared to other techniques. The band-gap variations with pressure suggests that, upon applying pressure (stress and strain), a tunable band gap of pristine graphene mono layer and graphene with different orientations of Stone-Wales defects can be achieved. We also monitored the influence of applying external pressure on the work function of pristine graphene mono-layer and graphene with Stone-Wales defects. Our results demonstrated that the work function of pristine as well as Stone-Wales defected graphene mono sheet can be efficiently controlled by selecting a specific pressure value.