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Electron transport through a conjugated molecule with carbon nanotube leads

Electron transport through a conjugated molecule with carbon nanotube leads A model carbon nanotube ( CNT ) - ( C H ) n - CNT structure is studied to understand electron transport through an interface between two conjugated systems. The conductance of the CNT - ( C H ) n - CNT structures strongly depends on the bonding angle of the ( C H ) n - CNT bond. The minimum-energy relaxed geometry is relatively coplanar. The relationship of the conductance on the length of the ( C H ) n depends on the geometry of the ( C H ) n - CNT interface. In the coplanar geometry, the conductance decreases with the length of the ( C H ) n . In the perpendicular geometry, the conductance increases with the length of the ( C H ) n . Calculations are performed using the nonequilibrium Green’s function formalism and tight-binding density functional theory. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

Electron transport through a conjugated molecule with carbon nanotube leads

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References (75)

Publisher
American Physical Society (APS)
Copyright
Copyright © 2007 The American Physical Society
ISSN
1550-235X
DOI
10.1103/PhysRevB.76.205322
Publisher site
See Article on Publisher Site

Abstract

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

Journal

Physical Review BAmerican Physical Society (APS)

Published: Nov 15, 2007

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