Electron tunneling through alkanedithiol molecules

Hoft, RC; Liu, J; Cortie, MB; Ford, MJ

Electron tunneling through alkanedithiol molecules

Hoft, RC Liu, J Cortie, MB

Ford, MJ

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Publication Type:: Conference Proceeding
Citation:: Progress in Biomedical Optics and Imaging - Proceedings of SPIE, 2006, 6036
Issue Date:: 2006-03-31

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Field	Value	Language
dc.contributor.author	Hoft, RC	en_US
dc.contributor.author	Liu, J	en_US
dc.contributor.author	Cortie, MB https://orcid.org/0000-0003-3202-6398	en_US
dc.contributor.author	Ford, MJ https://orcid.org/0000-0002-8595-5900	en_US
dc.date.issued	2006-03-31	en_US
dc.identifier.citation	Progress in Biomedical Optics and Imaging - Proceedings of SPIE, 2006, 6036	en_US
dc.identifier.issn	1605-7422	en_US
dc.identifier.uri	http://hdl.handle.net/10453/2326
dc.description.abstract	We report on first principles calculations of the tunneling current across n-alkanedithiol molecules (n = 4,6,8,10,12) sandwiched between two Au {111} electrodes. The conductance drops exponentially with increased chain length with decay parameter βn= 0.9. The results are compared with scanning tunneling microscopy measurements on decanedithiol and with other n-alkanedithiol (n = 6,8,10) results in the literature. The theoretical results are found to be an order of magnitude larger than experimental values but follow the same trend. However, two additional, more realistic, geometries are modeled by changing the bond type and by combining the first-principles results with a Wentzel-Kramer-Brillouin (WKB) expression for tunneling across the air gap that is invariably present during scanning tunneling microscopy (STM) measurements. These results are more compatible with the experimental data.	en_US
dc.relation.ispartof	Progress in Biomedical Optics and Imaging - Proceedings of SPIE	en_US
dc.relation.isbasedon	10.1117/12.638349	en_US
dc.title	Electron tunneling through alkanedithiol molecules	en_US
dc.type	Conference Proceeding
utslib.citation.volume	6036	en_US
utslib.for	1007 Nanotechnology	en_US
dc.location.activity	Brisbane, AUSTRALIA	en_US
dc.location.activity	Sydney, Australia
pubs.embargo.period	Not known	en_US
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/DVC (Research)
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
utslib.copyright.status	open_access
pubs.publication-status	Published	en_US
pubs.volume	6036	en_US

Abstract:

We report on first principles calculations of the tunneling current across n-alkanedithiol molecules (n = 4,6,8,10,12) sandwiched between two Au {111} electrodes. The conductance drops exponentially with increased chain length with decay parameter βn= 0.9. The results are compared with scanning tunneling microscopy measurements on decanedithiol and with other n-alkanedithiol (n = 6,8,10) results in the literature. The theoretical results are found to be an order of magnitude larger than experimental values but follow the same trend. However, two additional, more realistic, geometries are modeled by changing the bond type and by combining the first-principles results with a Wentzel-Kramer-Brillouin (WKB) expression for tunneling across the air gap that is invariably present during scanning tunneling microscopy (STM) measurements. These results are more compatible with the experimental data.

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http://hdl.handle.net/10453/2326