Contact conductance of a graphene nanoribbon with its graphene nano-electrodes. Issue 17 (18th April 2016)

• Record Type: Journal Article
• Authors: Srivastava, Saurabh; Kino, Hiori; Joachim, Christian
• Is Part Of: Nanoscale. Volume 8:Issue 17(2016)
• Page Start: 9265
• Page End: 9271
• Publication Date: 2016-04-18
• Subjects: Nanoscience -- Periodicals; Nanotechnology -- Periodicals; 620.505
• DOI: 10.1039/c6nr00848h
• Languages: English
• ISSNs: 2040-3364

Abstract

Abstract : Electronically contacted between two graphene nano-electrodes, the contact conductance ( G 0 ) of a graphene nanoribbon (GNR) molecular wire is calculated for various contact geometries using mono-electronic Elastic Scattering Quantum Chemistry (ESQC) theory. Abstract : 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.