Length-dependent conductance and thermopower in single-molecule junctions of dithiolated oligophenylene derivatives

Simple item page
dc.creatorPauly, F.
dc.creatorViljas, J. K.
dc.creatorCuevas, J. C.
dc.date2007-09-22
dc.date2008-05-05
dc.date.accessioned2026-07-07T13:17:16Z
dc.date.available2026-07-07T13:17:16Z
dc.descriptionWe study theoretically the length dependence of both conductance and thermopower in metal-molecule-metal junctions made up of dithiolated oligophenylenes contacted to gold electrodes. We find that while the conductance decays exponentially with increasing molecular length, the thermopower increases linearly as suggested by recent experiments. We also analyze how these transport properties can be tuned with methyl side groups. Our results can be explained by considering the level shifts due to their electron-donating character as well as the tilt-angle dependence of conductance and thermopower. Qualitative features of the substituent effects in our density-functional calculations are explained using a tight-binding model. In addition, we observe symmetry-related even-odd transmission channel degeneracies as a function of molecular length.
dc.description7 pages, 9 figures; submitted to Phys. Rev. B
dc.identifierhttps://arxiv.org/abs/0709.3588
dc.identifierhttp://arxiv.org/abs/0709.3588
dc.identifierPhys. Rev. B 78, 035315 (2008)
dc.identifierdoi:10.1103/PhysRevB.78.035315
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/231056
dc.subjectMesoscale and Nanoscale Physics
dc.subjectMaterials Science
dc.titleLength-dependent conductance and thermopower in single-molecule junctions of dithiolated oligophenylene derivatives
dc.typetext

Files

Collections

arXiv