2002Nano LettersRequires access

Effects of Coadsorption on the Conductance of Molecular Wires

Norton D. Lang, Phaedon Avouris

Open publisher page 24 citations

Abstract

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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What this paper is about

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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Available abstract

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.

Key concepts: Conductance, Molecular electronics, Molecular wire, Density functional theory, Molecule, Electrode, Chemical physics, Materials science

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