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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
- 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 ...
- Subjects :
- Hydrogen
Chemistry
Fermi level
Conductance
chemistry.chemical_element
Conductivity
Photochemistry
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
symbols.namesake
Electron transfer
General Energy
Phenylene
symbols
Molecule
Density functional theory
Physical and Theoretical Chemistry
Subjects
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