Abstract
| - We report a first-principle study of the electronic and conduction properties of a quadruple-helix guaninewire (G4 wire), a DNA derivative, with inner potassium ions. The analysis of the electronic structure highlightsthe presence of energy manifolds that are equivalent to the bands of (semi)conducting materials and revealsthe 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 anintrinsically p-doped system.
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