Ab initio study of electron transport in dry poly(G)-poly(C) A-DNA strands

Details Ab initio study of electron transport in dry poly(G)-poly(C) A-DNA strands Ab initio study of electron transport in dry poly(G)-poly(C) A-DNA strands

2010-06-30

arxiv.org/abs/1007.0035v1

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

15 pages, 13 figures, 1 table

Scientific paper

The bias-dependent transport properties of short poly(G)-poly(C) A-DNA strands attached to Au electrodes are investigated with first principles electronic transport methods. By using the non- equilibrium Green's function approach combined with self-interaction corrected density functional theory, we calculate the fully self-consistent coherent I-V curve of various double-strand polymeric DNA fragments. We show that electronic wave-function localization, induced either by the native electrical dipole and/or by the electrostatic disorder originating from the first few water solvation layers, drastically suppresses the magnitude of the elastic conductance of A-DNA oligonucleotides. We then argue that electron transport through DNA is the result of sequence-specific short-range tunneling across a few bases combined with general diffusive/inelastic processes.

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