Electron transport through a conjugated molecule with carbon nanotube leads

Nicolas A. Bruque, Rajeev R. Pandey, and Roger K. Lake
Phys. Rev. B 76, 205322 – Published 20 November 2007

Abstract

A model carbon nanotube (CNT)(CH)nCNT structure is studied to understand electron transport through an interface between two conjugated systems. The conductance of the CNT(CH)nCNT structures strongly depends on the bonding angle of the (CH)nCNT bond. The minimum-energy relaxed geometry is relatively coplanar. The relationship of the conductance on the length of the (CH)n depends on the geometry of the (CH)nCNT interface. In the coplanar geometry, the conductance decreases with the length of the (CH)n. In the perpendicular geometry, the conductance increases with the length of the (CH)n. Calculations are performed using the nonequilibrium Green’s function formalism and tight-binding density functional theory.

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  • Received 7 August 2007

DOI:https://doi.org/10.1103/PhysRevB.76.205322

©2007 American Physical Society

Authors & Affiliations

Nicolas A. Bruque*, Rajeev R. Pandey, and Roger K. Lake

  • Department of Electrical Engineering, University of California, Riverside, California 92521, USA

  • *nbruque@ee.ucr.edu

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Issue

Vol. 76, Iss. 20 — 15 November 2007

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