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Ab initio study of electron transport in dry poly(G)-poly(C) A-DNA strands | C. D. Pemmaraju
; I. Rungger
; X. Chen
; A. R. Rocha
; S. Sanvito
; | Date: |
30 Jun 2010 | Abstract: | 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. | Source: | arXiv, 1007.0035 | Services: | Forum | Review | PDF | Favorites |
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