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Physical Review B
Article
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Physical Review B
Article . 2010 . Peer-reviewed
License: APS Licenses for Journal Article Re-use
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Electron transport through ribbonlike molecular wires calculated using density-functional theory and Green’s function formalism

Authors: Visontai, David; Grace, Iain; Lambert, Colin;

Electron transport through ribbonlike molecular wires calculated using density-functional theory and Green’s function formalism

Abstract

We study the length dependence of electron transport through three families of rigid, ribbonlike molecular wires. These series of molecules, known as polyacene dithiolates, polyphenanthrene dithiolates, and polyfluorene dithiolates, represent the ultimate graphene nanoribbons. We find that acenes are the most attractive candidates for low-resistance molecular-scale wires because the low-bias conductance of the fluorene- and phenanthrene-based families is shown to decrease exponentially with length, with inverse decay lengths of =0.29 A 1 and =0.37 A 1 , respectively. In contrast, the conductance of the acene-based series is found to oscillate with length due to quantum interference. The period of oscillation is determined by the Fermi wave vector of an infinite acene chain and is approximately 10 A. Details of the oscillations are sensitive to the position of thiol end groups and in the case of “para” end groups, the conductance is found initially to increase with length.

Country
United Kingdom
Keywords

530

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
14
Average
Average
Top 10%
Green
bronze