Electron Channels in Biomolecular Nanowires

We report a first-principle study of the electronic and conduction properties of a quadruple-helix guanine wire (G4 wire), a DNA derivative, with inner potassium ions. The analysis of the electronic structure highlights the presence of energy manifolds that are equivalent to the bands of (semi)condu...

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Bibliographic Details
Published in:The journal of physical chemistry. B 2004-02, Vol.108 (8), p.2509-2515
Main Authors: Calzolari, Arrigo, Di Felice, Rosa, Molinari, Elisa, Garbesi, Anna
Format: Article
Language:English
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Summary:We report a first-principle study of the electronic and conduction properties of a quadruple-helix guanine wire (G4 wire), a DNA derivative, with inner potassium ions. The analysis of the electronic structure highlights the presence of energy manifolds that are equivalent to the bands of (semi)conducting materials and reveals the formation of extended electron channels available for charge transport along the wire. The specific metal−nucleobase interactions affect the electronic properties at the Fermi level, leading the wire to behave as an intrinsically p-doped system.
ISSN:1520-6106
1520-5207
DOI:10.1021/jp036689m