• 文献标题:   ELECTRONIC PROPERTIES OF O-DOPED POROUS GRAPHENE AND BIPHENYLENE CARBON: A DENSITY FUNCTIONAL THEORY STUDY
  • 文献类型:   Article
  • 作  者:   MAJIDI R, SAADAT M, DAVOUDI S
  • 作者关键词:   porous graphene, biphenylene carbon, oxygen impurity, electronic band structure, density of state, density functional theory
  • 出版物名称:   ROMANIAN REPORTS IN PHYSICS
  • ISSN:   1221-1451 EI 1841-8759
  • 通讯作者地址:   Shahid Rajaee Teacher Training Univ
  • 被引频次:   1
  • DOI:  
  • 出版年:   2017

▎ 摘  要

We have used density functional theory to study the electronic properties of O-doped porous graphene and O-doped biphenylene carbon. The porous graphene is an insulator, while the biphenylene carbon shows semiconducting property. It was found that oxygen doping has a considerable effect on the electronic properties of porous graphene and biphenylene carbon sheets. These sheets become n-type semiconductors in the presence of oxygen impurity. The energy band gap was decreased due to the presence of oxygen impurity.