Effects of Coadsorption on the Conductance of Molecular Wires

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.