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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.
Physical Review B – American Physical Society (APS)
Published: Nov 15, 2007
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