Effects of Coadsorption on the Conductance of Molecular Wires

Effects of Coadsorption on the Conductance of Molecular Wires

We use density-functional theory to calculate the effects of coadsorption near the molecule/electrode junction on the conductance of a molecular wire. We find significant changes in both the density of states of the molecular wire and its conductance; electrostatic effects as well as short-ranged in...

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Veröffentlicht in:Nano letters 2002-10, Vol.2 (10), p.1047-1050
Hauptverfasser: Lang, Norton D, Avouris, Phaedon
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description We use density-functional theory to calculate the effects of coadsorption near the molecule/electrode junction on the conductance of a molecular wire. We find significant changes in both the density of states of the molecular wire and its conductance; electrostatic effects as well as short-ranged interactions are found to be responsible. It is clear that successful implementation of molecular electronics will require the control of such interactions.
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title Effects of Coadsorption on the Conductance of Molecular Wires
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