Charge Transport in Single Au|Alkanedithiol|Au Junctions: Coordination Geometries and Conformational Degrees of Freedom

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dc.creatorLi, Chen
dc.creatorPobelov, Ilya
dc.creatorWandlowski, Thomas
dc.creatorBagrets, Alexei
dc.creatorArnold, Andreas
dc.creatorEvers, Ferdinand
dc.date2008-02-18
dc.date.accessioned2026-07-07T09:21:29Z
dc.date.available2026-07-07T09:21:29Z
dc.descriptionRecent STM molecular break-junction experiments have revealed multiple series of peaks in the conductance histograms of alkanedithiols. To resolve a current controversy, we present here an in-depth study of charge transport properties of Au|alkanedithiol|Au junctions. Conductance histograms extracted from our STM measurements unambiguously confirm features showing more than one set of junction configurations. Based on quantum chemistry calculations, we propose that certain combinations of different sulfur-gold couplings and trans/gauche conformations act as the driving agents. The present study may have implications for experimental methodology: whenever conductances of different junction conformations are not statistically independent, the conductance histogram technique can exhibit a single series only, even though a much larger abundance of microscopic realizations exists.
dc.description19 pages, 9 figures, 1 table; published version
dc.identifierhttps://arxiv.org/abs/0802.2407
dc.identifierhttp://arxiv.org/abs/0802.2407
dc.identifierJ. Am. Chem. Soc. 2008, 130, 318-326
dc.identifierdoi:10.1021/ja0762386
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/155038
dc.subjectMaterials Science
dc.titleCharge Transport in Single Au|Alkanedithiol|Au Junctions: Coordination Geometries and Conformational Degrees of Freedom
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