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000000329 0247_ $$2DOI$$a10.1021/ja0762386
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000000329 084__ $$2WoS$$aChemistry, Multidisciplinary
000000329 1001_ $$0P:(DE-Juel1)VDB63965$$aLi, C.$$b0$$uFZJ
000000329 245__ $$aCharge transport in single Au-Alkandithiol-Au junctions - Conductance histograms and conformational degress of freedom
000000329 260__ $$aWashington, DC$$bAmerican Chemical Society$$c2008
000000329 300__ $$a318 - 326
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000000329 440_0 $$08502$$aJournal of the American Chemical Society$$v130$$x0002-7863
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000000329 520__ $$aRecent 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. On the basis of 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.
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000000329 650_2 $$2MeSH$$aElectric Conductivity
000000329 650_2 $$2MeSH$$aGold: chemistry
000000329 650_2 $$2MeSH$$aMolecular Conformation
000000329 650_2 $$2MeSH$$aQuantum Theory
000000329 650_2 $$2MeSH$$aSulfhydryl Compounds: chemistry
000000329 650_7 $$00$$2NLM Chemicals$$aSulfhydryl Compounds
000000329 650_7 $$07440-57-5$$2NLM Chemicals$$aGold
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000000329 7001_ $$0P:(DE-Juel1)VDB45469$$aPobelov, I.$$b1$$uFZJ
000000329 7001_ $$0P:(DE-Juel1)VDB9859$$aWandlowski, Th.$$b2$$uFZJ
000000329 7001_ $$0P:(DE-HGF)0$$aBagrets, A.$$b3
000000329 7001_ $$0P:(DE-HGF)0$$aArnold, A.$$b4
000000329 7001_ $$0P:(DE-HGF)0$$aEvers, F.$$b5
000000329 773__ $$0PERI:(DE-600)1472210-0$$a10.1021/ja0762386$$gVol. 130, p. 318 - 326$$p318 - 326$$q130<318 - 326$$tJournal of the American Chemical Society$$v130$$x0002-7863$$y2008
000000329 8567_ $$uhttp://dx.doi.org/10.1021/ja0762386
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