Electron channels in biomolecular nanowires

TL;DR

This study uses first-principles calculations to explore the electronic structure and charge transport properties of a quadruple-helix guanine DNA wire with potassium ions, revealing conductive channels and doping effects.

Contribution

It provides the first detailed electronic structure analysis of G4-wire biomolecular nanowires with metal ions, highlighting their potential for charge transport applications.

Findings

Presence of energy manifolds similar to conduction bands

Extended electron channels for charge transport

Intrinsic p-doping due to metal-nucleobase interactions

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.