Michiel Sprik
Journal of Physics Condensed Matter
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.
Michiel Sprik
Journal of Physics Condensed Matter
Lawrence Suchow, Norman R. Stemple
JES
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Surface Science
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Physical Review B