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Theoretical Investigation on the Electron Transport through Single Alkandithiol Molecules under Different Compression

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Abstract:

The influence of molecular compression on the electron transport through single alkandithiol molecules sandwiched between two gold (111) electrodes has been studied by nonequilibrium Green’s function technique combined with density functional theory. The results showed that the molecular compression may increase the molecular current under low bias while decrease the molecular current under high bias. The mechanism of the effect of molecular compression on the electron transport behavior has been discussed in terms of electronic structures and transmission spectra.

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Periodical:

Materials Science Forum (Volumes 663-665)

Pages:

604-607

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.663-665.604

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Online since:

November 2010

Authors:

Jin Huan Yao, Ning Li, Jian Rong Xiao, Yan Wei Li

Keywords:

Compression, Electron Transport, Molecular Electronics, Single Molecule

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© 2011 Trans Tech Publications Ltd. All Rights Reserved

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