title: Contact conductance of a graphene nanoribbon with its graphene nano-electrodes.
abstract: Electronically contacted between two graphene nano-electrodes, the contact conductance (G0) 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 G0 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.
authors.affiliation: WPI-MANA, National Institute for Material Sciences, 1-1 Namiki, Tsukuba, Ibaraki, Japan. SRIVASTAVA.Saurabh@nims.go.jp.
authors.forename: Saurabh
authors.initials: S
authors.lastname: Srivastava
authors.affiliation: WPI-MANA, National Institute for Material Sciences, 1-1 Namiki, Tsukuba, Ibaraki, Japan. SRIVASTAVA.Saurabh@nims.go.jp.
authors.forename: Hiori
authors.initials: H
authors.lastname: Kino
authors.affiliation: WPI-MANA, National Institute for Material Sciences, 1-1 Namiki, Tsukuba, Ibaraki, Japan. SRIVASTAVA.Saurabh@nims.go.jp and CEMES-CNRS, 29 Rue J. Marvig, BP 4347, 31055 Toulouse Cedex, France.
authors.forename: Christian
authors.initials: C
authors.lastname: Joachim