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Oligoyne Single Molecule Wires

dc.contributor.authorWang, Changsheng
dc.contributor.authorBatsanov, Andrei S.
dc.contributor.authorBryce, Martin R.
dc.contributor.authorMartín, Santiago
dc.contributor.authorNichols, Richard J.
dc.contributor.authorHiggins, Simon J.
dc.contributor.authorGarcía Suárez, Víctor Manuel 
dc.contributor.authorLambert, Colin J.
dc.identifier.citationJournal of the American Chemical Society, 131 (43), p. 15647–15654 (2009); doi:10.1021/ja9061129eng
dc.descriptionThe conductance histograms reveal multiple series of peaks attributed to differing contact geometries between the pyridyl head groups and the gold electrodes. Both experimental and theoretical evidence point to the higher conduction groups being related to adsorption of the pyridyl group at more highly coordinated sites such as step edges or alongside gold
dc.description.abstractWe report the electrical conductance at the single molecule level of the oligoyne molecular wires Py-(CtC)n-Py (n ) 1, 2 and 4; Py ) 4-pyridyl) using STM-molecular break junction techniques in Au|molecule|Au configurations. All three conduction groups in the oligoyne series show a remarkably low value of (0.06 ( 0.03) Å-1, that is, the conductance is almost independent of molecular length. 4,4′-Bipyridyl studied under the same conditions does not follow this exponential decay series. Theoretical calculations using a combination of density functional theory and nonequilibrium Green’s function formalism support the experimental results. We conclude that oligoynes and polyynes are a very promising class of molecular wires for integration into electronic circuitsspa
dc.description.sponsorshipThis work was supported by EPSRC under grants EP/C00678X/1 (Mechanisms of Single Molecule Conductance) and GR/S84064/01 (Controlled Electron Transport Through Single Molecules), QinetiQ and the British Department of Trade and Industry, Royal Society, Northwest Regional Development Agency, the EC FP7 ITN FUNMOLS project no. 212942 and the EC FP7 ITN NANOCTM.
dc.format.extentp. 15647-15654
dc.publisherAmerican Chemical Society
dc.relation.ispartofJournal of the American Chemical Society, 131 (43)spa
dc.rights© 2009 American Chemical Society
dc.subjectElectrónica molecularspa
dc.titleOligoyne Single Molecule Wiresspa

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