• 文献标题:   Contact conductance of a graphene nanoribbon with its graphene nano-electrodes
  • 文献类型:   Article
  • 作  者:   SRIVASTAVA S, KINO H, JOACHIM C
  • 作者关键词:  
  • 出版物名称:   NANOSCALE
  • ISSN:   2040-3364 EI 2040-3372
  • 通讯作者地址:   Natl Inst Mat Sci
  • 被引频次:   7
  • DOI:   10.1039/c6nr00848h
  • 出版年:   2016

▎ 摘  要

Electronically contacted between two graphene nano-electrodes, the contact conductance (G(0)) of a graphene nanoribbon (GNR) molecular wire is calculated using mono-electronic Elastic Scattering Quantum Chemistry (ESQC) theory. Different nano-electrode contact geometries are considered ranging from a top face to face van der Waals contact to an adiabatic funnel like planar chemical bonding. The Tamm state contributions to the GNR-graphene nano-electrode electronic interactions are discussed as a function of the molecular orbital hybridization. Contrary to the common belief, the adiabatic-like triangle shaped contact nano-graphene electrode does not provide a large G(0) as compared to the abrupt contact geometry. The abrupt contact geometry is even worth than a top face to face van der Waals electronic contact with a metal.