Effects of Coadsorption on the Conductance of Molecular Wires
Norton D. Lang, Phaedon Avouris
Abstract
Norton D. Lang, Phaedon Avouris
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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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