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Environmental Effects on the Single Molecule Conductance of bis(thiahexyl)oligothiophenes

Published online by Cambridge University Press:  31 January 2011

Edmund Leary ,
Horst Höbenreich ,
Simon J. Higgins ,
Harm van Zalinge ,
Wolfgang Haiss ,
Richard J. Nichols ,
Christopher Finch ,
Iain Grace  and
Colin J. Lambert
Edmund Leary
Affiliation:
edmund.leary@imdea.org, University of Liverpool, Department of Chemistry, Liverpool, United Kingdom
Horst Höbenreich
Affiliation:
hoebenreich@googlemail.com, University of Liverpool, Department of Chemistry, Liverpool, United Kingdom
Simon J. Higgins
Affiliation:
shiggins@liv.ac.uk, University of Liverpool, Department of Chemistry, Liverpool, United Kingdom
Harm van Zalinge
Affiliation:
vzalinge@liverpool.ac.uk, University of Liverpool, Department of Chemistry, Liverpool, United Kingdom
Wolfgang Haiss
Affiliation:
haiss@liverpool.ac.uk, University of Liverpool, Department of Chemistry, Liverpool, United Kingdom
Richard J. Nichols
Affiliation:
R.J.Nichols@liverpool.ac.uk, University of Liverpool, Department of Chemistry, Liverpool, United Kingdom
Christopher Finch
Affiliation:
c.m.finch@lancaster.ac.uk, University of Lancaster, Department of Physics, Lancaster, United Kingdom
Iain Grace
Affiliation:
i.grace@lancaster.ac.uk, University of Lancaster, Department of Physics, Lancaster, United Kingdom
Colin J. Lambert
Affiliation:
c.lambert@lancaster.ac.uk, University of Lancaster, Department of Physics, Lancaster, United Kingdom
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Abstract

Simple alkanedithiols exhibit the same molecular conductance whether measured in air, under vacuum or under liquids of different polarity. Here, we show that the presence of water ‘gates’ the conductance of a family of oligothiophene–containing molecular wires, and that the longer the oligothiophene, the larger is the effect; for the longest example studied, the molecular conductance is over two orders of magnitude larger in the presence of water, an unprecedented result suggesting that ambient water is a crucial factor to be taken into account when measuring single molecule conductances (SMC), or in the design of future molecular electronic devices. Theoretical investigation of electron transport through the molecules, using the ab initio non-equilibrium Green's function (SMEAGOL) method, shows that water molecules interact with the thiophene rings, shifting the transport resonances enough to increase greatly the SMC of the longer, more conjugated examples.

Keywords

organicAuelectrical properties
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1154: Symposium B – Concepts in Molecular and Organic Electronics , 2009 , 1154-B04-02
Copyright
Copyright © Materials Research Society 2009

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