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- W2045996843 abstract "A model carbon nanotube $(mathrm{CNT})text{ensuremath{-}}{(mathrm{C}mathrm{H})}_{n}text{ensuremath{-}}mathrm{CNT}$ structure is studied to understand electron transport through an interface between two conjugated systems. The conductance of the $mathrm{CNT}text{ensuremath{-}}{(mathrm{C}mathrm{H})}_{n}text{ensuremath{-}}mathrm{CNT}$ structures strongly depends on the bonding angle of the ${(mathrm{C}mathrm{H})}_{n}text{ensuremath{-}}mathrm{CNT}$ bond. The minimum-energy relaxed geometry is relatively coplanar. The relationship of the conductance on the length of the ${(mathrm{C}mathrm{H})}_{n}$ depends on the geometry of the ${(mathrm{C}mathrm{H})}_{n}text{ensuremath{-}}mathrm{CNT}$ interface. In the coplanar geometry, the conductance decreases with the length of the ${(mathrm{C}mathrm{H})}_{n}$. In the perpendicular geometry, the conductance increases with the length of the ${(mathrm{C}mathrm{H})}_{n}$. Calculations are performed using the nonequilibrium Green's function formalism and tight-binding density functional theory." @default.
- W2045996843 created "2016-06-24" @default.
- W2045996843 creator A5019286076 @default.
- W2045996843 creator A5044164377 @default.
- W2045996843 creator A5078651531 @default.
- W2045996843 date "2007-11-20" @default.
- W2045996843 modified "2023-09-27" @default.
- W2045996843 title "Electron transport through a conjugated molecule with carbon nanotube leads" @default.
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- W2045996843 doi "https://doi.org/10.1103/physrevb.76.205322" @default.
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