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The Effect of Water on Electron Transfer through Conductive Oligo(phenylene vinylene) Quinones

The Effect of Water on Electron Transfer through Conductive Oligo(phenylene vinylene) Quinones

Authors :
Anders Blom
Gary S. Kedziora
Nikolai Lebedev
Joel M. Schnur
Igor Griva
Source :
The Journal of Physical Chemistry C. 114:22710-22717
Publication Year :
2010
Publisher :
American Chemical Society (ACS), 2010.

Abstract

Electron transfer (ET) through oxidized (QOPV) and reduced-protonated (HQOPV) forms of oligo(phenylene vinylene) quinone placed between two gold electrodes in the absence and presence of external water molecules is calculated using density functional theory with a nonequilibrium Green’s function method. The results show that the presence of hydrogen atoms as an internal component (in reduced-protonated form of the molecule) screens the stimulating effect of oxygen on QOPV conductivity and eliminates the efficiency of the molecule conductance at low bias voltages. The formation of a complex with water restores the HQOPV conductivity at low biases and opens several additional strong conductivity channels below the Fermi level, substantially improving the efficiency of ET between QOPV and the electrode, especially at longer distances between the molecule and the metal. This effect of water can be utilized in the construction of novel highly efficient electrochemically gated electronic devices. It also opens ...

Details

ISSN :
19327455 and 19327447
Volume :
114
Database :
OpenAIRE
Journal :
The Journal of Physical Chemistry C
Accession number :
edsair.doi...........048ac4d47b370dd8e9405ddfff45c6f0
Full Text :
https://doi.org/10.1021/jp108868z