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.

Electron channels in biomolecular nanowires

A Calzolari;R Di Felice;
2004

Abstract

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.
2004
Istituto per la Sintesi Organica e la Fotoreattivita' - ISOF
Istituto Nanoscienze - NANO
G-QUADRUPLEX
CRYSTAL-STRUCTURE
DFT
NANOWIRES
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/4418
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