• 文献标题:   Electronic transport through hybrid armchair graphane/graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   LIU W, MENG FH, ZHAO JH, JIANG XH
  • 作者关键词:   graphene, graphane, electronic transport, firstprinciple
  • 出版物名称:   PHYSICA BCONDENSED MATTER
  • ISSN:   0921-4526 EI 1873-2135
  • 通讯作者地址:   Jining Univ
  • 被引频次:   1
  • DOI:   10.1016/j.physb.2018.11.001
  • 出版年:   2019

▎ 摘  要

Modulation of the electronic properties of graphene nanoribbons (GNRs) is an important issue for their application in nanoelectronics. Armchair GNRs (AGNRs) are semiconductors with energy gaps related to their width. Armchair graphane nanoribbons (AGaNRs) are insulators with wide gaps. Considering the gap size hierarchy of AGNRs, we construct a series of hybrid nanoribbon by substituting AGaNRs into AGNRs to tune the charge transport of the nanoribbons. Based on the non-equilibrium Green's function method combined with the density functional theory, it is interesting to find that the energy gaps of these nanoribbons do not increase monotonically with the increasing proportion of AGaNRs as one expects intuitively. The charge transport of these systems can be enhanced or reduced due to the incorporation of AGaNRs. It suggests that such hybridization is an efficient way to modulate the electronic properties of the systems. Detailed analyses via transmission spectra, distribution of molecular projected self-consistent Hamiltonian states, frontier molecular orbital position and transmission pathways are given for a deeper insight.