A dramatic effect of water on single molecule conductance

Leary, Edmund and Höbenreich, Horst and Higgins, Simon J. and Van Zalinge, Harm and Haiss, Wolfgang and Nichols, Richard J. and Finch, Christopher and Grace, Iain and Lambert, Colin J. (2009) A dramatic effect of water on single molecule conductance. Materials Research Society Symposium Proceedings, 1154. pp. 3-8. ISSN 0272-9172

Full text not available from this repository.


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.

Item Type:
Journal Article
Journal or Publication Title:
Materials Research Society Symposium Proceedings
Uncontrolled Keywords:
ID Code:
Deposited By:
Deposited On:
08 Oct 2019 13:45
Last Modified:
22 Nov 2022 08:12