130 citations · 368 across the 5 of their papers we have counts for
5 papers
Modeling elastic and photoassisted transport in organic molecular wires: length dependence and current-voltage characteristics
J. K. Viljas, F. Pauly, J. C. Cuevas
Using a pi-orbital tight-binding model, we study the elastic and photoassisted transport properties of metal-molecule-metal junctions based on oligophenylenes of varying lengths. T…
Length-dependent conductance and thermopower in single-molecule junctions of dithiolated oligophenylene derivatives
F. Pauly, J. K. Viljas, J. C. Cuevas
We study theoretically the length dependence of both conductance and thermopower in metal-molecule-metal junctions made up of dithiolated oligophenylenes contacted to gold electrod…
Tilt-angle landscapes and temperature dependence of the conductance in biphenyl-dithiol single-molecule junctions
F. Pauly, J. K. Viljas, J. C. Cuevas +1
Using a density-functional-based transport method we study the conduction properties of several biphenyl-derived dithiol (BPDDT) molecules wired to gold electrodes. The BPDDT molec…
Photoconductance of organic single-molecule contacts
J. K. Viljas, F. Pauly, J. C. Cuevas
We study the dc conductance of organic single-molecule contacts in the presence of external electromagnetic radiation (photoconductance). In agreement with previous predictions, we…
Ab initio study of charge transport through single oxygen molecules in atomic aluminum contacts
S. Wohlthat, F. Pauly, J. K. Viljas +2
We present ab initio calculations of transport properties of atomic-sized aluminum contacts in the presence of oxygen. The experimental situation is modeled by considering a single…