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Orientation of Decanethiol Molecules in Self-Assembled Monolayers Determined by Inelastic Electron Tunneling Spectroscopy
KTH, School of Biotechnology (BIO), Theoretical Chemistry.
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2009 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 113, no 42, 18353-18357 p.Article in journal (Refereed) Published
Abstract [en]

We present first-principles calculations for the inelastic electron tunneling spectroscopy (IETS) of decanethiolate molecules sandwiched between Au(111) surface and scanning tunneling microscope (STM) reported by Hallback et at, (Nano Left. 2004, 4, 2393). It is demonstrated here that the IET spectra are very sensitive to the molecule-metal contact structure, orientation of the molecule adsorbed on the surface, and the distance between the carbon of the terminal methyl group and the STM tip. With correct assignation of the experimental spectral features, the orientation of the molecule and then the probable configuration of the molecular junction are

Place, publisher, year, edition, pages
2009. Vol. 113, no 42, 18353-18357 p.
Keyword [en]
JUNCTIONS, CONDUCTANCE, TRANSPORT, CHEMISTRY
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Physical Chemistry
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URN: urn:nbn:se:kth:diva-32341DOI: 10.1021/jp9052264ISI: 000270671100051Scopus ID: 2-s2.0-70449597727OAI: oai:DiVA.org:kth-32341DiVA: diva2:410231
Note
QC 20110413Available from: 2011-04-13 Created: 2011-04-12 Last updated: 2017-12-11Bibliographically approved

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