• 文献标题:   Effect of Nitrogen and Boron Localization on the Electrical Properties of Porous Graphene
  • 文献类型:   Article
  • 作  者:   JAFARI M, NAZIFI S, ASADPOUR M
  • 作者关键词:   porous graphene, nitrogen boron impuritie, semiconductor, dft
  • 出版物名称:   NANO
  • ISSN:   1793-2920 EI 1793-7094
  • 通讯作者地址:   KN Toosi Univ Technol
  • 被引频次:   1
  • DOI:   10.1142/S1793292017501090
  • 出版年:   2017

▎ 摘  要

The electrical properties of porous graphene (PG) are investigated by using the density functional theory (DFT) with the generalized gradient approximation (GGA). The addition of Boron and nitrogen impurities could change the semiconductor into the n or p-type. Results showed that PG had pseudo-metal properties and a direct band gap. Furthermore, adding two impurities resulted in a greater decrease in the energy of the band gap as compared to the other states. In particular, when two impurities were of the boron type, the reduction was more tangible. Moreover, the addition of impurity could also increase the conductivity and pushed the electrical properties toward being a metal.