• 文献标题:   Effect of the anchoring groups on the switching behaviour of the dihydroazulene/vinylheptafulvene molecular junction with zigzag-edged graphene nanoribbons electrodes
  • 文献类型:   Article
  • 作  者:   XIA CJ, YANG AY, ZHANG BQ, SU YH, TU ZY, WANG J
  • 作者关键词:   molecular switch, nonequilibrium green s function, electronic transport, graphene nanoribbon
  • 出版物名称:   MOLECULAR PHYSICS
  • ISSN:   0026-8976 EI 1362-3028
  • 通讯作者地址:   Xian Polytech Univ
  • 被引频次:   1
  • DOI:   10.1080/00268976.2017.1308026
  • 出版年:   2017

▎ 摘  要

The switching behaviour of dihydroazulene/vinylheptafulvene molecule with different anchoring groups sandwiched between two zigzag-edged graphene nanoribbons (ZGNRs) electrodes is investigated by applying nonequilibrium Green's function formalism combined with first-principles density functional theory. The calculated results show that the anchoring groups play a significant role in determining the electronic transport properties and switching behaviour of the molecular junctions. A higher current switching ratio without any oscillation can be obtained for the molecular junctions with carbon atom anchoring group, which suggests that this system has a broader application in future logic and memory devices. [GRAPHICS]