The conduction properties of α,ω-diaminoalkanes and hydrazine bridging gold electrodes

Wohlthat, S; Pauly, F; Reimers, JR

The conduction properties of α,ω-diaminoalkanes and hydrazine bridging gold electrodes

Wohlthat, S Pauly, F Reimers, JR

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Publication Type:: Journal Article
Citation:: Chemical Physics Letters, 2008, 454 (4-6), pp. 284 - 288
Issue Date:: 2008-03-20

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Field	Value	Language
dc.contributor.author	Wohlthat, S	en_US
dc.contributor.author	Pauly, F	en_US
dc.contributor.author	Reimers, JR https://orcid.org/0000-0001-5157-7422	en_US
dc.date.issued	2008-03-20	en_US
dc.identifier.citation	Chemical Physics Letters, 2008, 454 (4-6), pp. 284 - 288	en_US
dc.identifier.issn	0009-2614	en_US
dc.identifier.uri	http://hdl.handle.net/10453/28170
dc.description.abstract	The conduction properties of α,ω-diaminoalkanes and hydrazine bridging gold electrodes are investigated using density functional theory in combination with Green's function techniques and group theory. We show that more than 99% of the current at low bias is carried by one channel of A′ symmetry whose form is invariant to both the alkane chain length and realistic changes of the injection energy. The total conductance decreases exponentially with a decay constant of 0.73 Å-1 with increasing chain length while the calculated gold-amine contact resistance is ca. 150 kΩ. © 2008 Elsevier B.V. All rights reserved.	en_US
dc.relation.ispartof	Chemical Physics Letters	en_US
dc.relation.isbasedon	10.1016/j.cplett.2008.02.011	en_US
dc.subject.classification	Chemical Physics	en_US
dc.title	The conduction properties of α,ω-diaminoalkanes and hydrazine bridging gold electrodes	en_US
dc.type	Journal Article
utslib.citation.volume	4-6	en_US
utslib.citation.volume	454	en_US
utslib.for	0306 Physical Chemistry (incl. Structural)	en_US
utslib.for	02 Physical Sciences	en_US
utslib.for	03 Chemical Sciences	en_US
utslib.for	10 Technology	en_US
pubs.embargo.period	Not known	en_US
pubs.organisational-group	/University of Technology Sydney
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	closed_access
pubs.issue	4-6	en_US
pubs.publication-status	Published	en_US
pubs.volume	454	en_US

Abstract:

The conduction properties of α,ω-diaminoalkanes and hydrazine bridging gold electrodes are investigated using density functional theory in combination with Green's function techniques and group theory. We show that more than 99% of the current at low bias is carried by one channel of A′ symmetry whose form is invariant to both the alkane chain length and realistic changes of the injection energy. The total conductance decreases exponentially with a decay constant of 0.73 Å-1 with increasing chain length while the calculated gold-amine contact resistance is ca. 150 kΩ. © 2008 Elsevier B.V. All rights reserved.

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http://hdl.handle.net/10453/28170