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Title: Ab initio study of electron transport in dry poly(G)-poly(C) A-DNA strands
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Keywords: Atomic, molecular and chemical physics
electronic transport
Issue Date: 2010
Citation: Pemmaraju, CD, Rungger, I, Chen, X, Rocha, AR, Sanvito, S, Ab initio study of electron transport in dry poly(G)-poly(C) A-DNA strands, Physical Review B - Condensed Matter and Materials Physics, 82, 12, 2010, art. no. 125426
Series/Report no.: Physical Review B - Condensed Matter and Materials Physics
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 nonequilibrium 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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Appears in Collections:Physics (Scholarly Publications)

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