• 文献标题:   Electronic properties of a patchwork of armchair graphene nanoribbon and triangular boron nitride nanoflake
  • 文献类型:   Article
  • 作  者:   XU P, YU SS, QIAO L
  • 作者关键词:   graphene nanoribbon, electronic structure, density functional theory
  • 出版物名称:   MOLECULAR SIMULATION
  • ISSN:   0892-7022 EI 1029-0435
  • 通讯作者地址:   Jilin Univ
  • 被引频次:   1
  • DOI:   10.1080/08927022.2012.744458
  • 出版年:   2013

▎ 摘  要

Calculations have been performed for a patchwork of armchair graphene nanoribbon and triangular boron nitride nanoflake (BNNF) using density functional theory. It is found that various exotic electronic ground states near the Fermi level appear, and interestingly such electronic structures can be tuned by controlling the size and concentration of the embedding triangular BNNF which can produce spin polarisedunpolarised transitions, whereas electronic structures of patchwork graphene embedded with triangular BNNF are not spin polarised. Such a phenomenon originates from synergistic effects (a charge transfer effect and a nanoribbon edge effect), which suggests one possible way for band gap engineering for nanoelectronic device applications.