Final published version
Research output: Contribution to Journal/Magazine › Conference article › peer-review
Research output: Contribution to Journal/Magazine › Conference article › peer-review
}
TY - JOUR
T1 - A dramatic effect of water on single molecule conductance
AU - Leary, Edmund
AU - Höbenreich, Horst
AU - Higgins, Simon J.
AU - Van Zalinge, Harm
AU - Haiss, Wolfgang
AU - Nichols, Richard J.
AU - Finch, Christopher
AU - Grace, Iain
AU - Lambert, Colin J.
PY - 2009/12/1
Y1 - 2009/12/1
N2 - 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.
AB - 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.
U2 - 10.1557/PROC-1154-B04-02
DO - 10.1557/PROC-1154-B04-02
M3 - Conference article
AN - SCOPUS:72849131797
VL - 1154
SP - 3
EP - 8
JO - Materials Research Society Symposium Proceedings
JF - Materials Research Society Symposium Proceedings
SN - 0272-9172
T2 - 2009 MRS Spring Meeting: MRS Symposium B on Concepts in Molecular and Organic Electronics
Y2 - 13 April 2009 through 17 April 2009
ER -