dc.contributor.author | SANVITO, STEFANO | en |
dc.contributor.author | RUNGGER, IVAN | en |
dc.contributor.author | PEMMARAJU, SRI | en |
dc.contributor.author | CHEN, XIHUA | en |
dc.date.accessioned | 2011-03-02T15:34:09Z | |
dc.date.available | 2011-03-02T15:34:09Z | |
dc.date.issued | 2010 | en |
dc.date.submitted | 2010 | en |
dc.identifier.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 | en |
dc.identifier.other | Y | en |
dc.description | PUBLISHED | en |
dc.description.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. | en |
dc.description.sponsorship | This work is sponsored by Science Foundation of Ireland (Grants No. 07/RFP/PHYF235 and No. 07/IN.1/I945), CRANN, and the EU FP7 nanoDNAsequencing. Computational resources have been provided by the HEA IITAC project managed by the Trinity Center for High Performance Computing and by ICHEC. | en |
dc.format.extent | art. no. 125426 | en |
dc.language.iso | en | en |
dc.relation.ispartofseries | Physical Review B - Condensed Matter and Materials Physics | en |
dc.relation.ispartofseries | 82 | en |
dc.relation.ispartofseries | 12 | en |
dc.rights | Y | en |
dc.subject | Atomic, molecular and chemical physics | en |
dc.subject | DNA | en |
dc.subject | electronic transport | en |
dc.title | Ab initio study of electron transport in dry poly(G)-poly(C) A-DNA strands | en |
dc.type | Journal Article | en |
dc.type.supercollection | scholarly_publications | en |
dc.type.supercollection | refereed_publications | en |
dc.identifier.peoplefinderurl | http://people.tcd.ie/sanvitos | en |
dc.identifier.rssinternalid | 71461 | en |
dc.subject.TCDTheme | Neuroscience | en |
dc.identifier.rssuri | http://dx.doi.org/10.1103/PhysRevB.82.125426 | en |
dc.contributor.sponsor | Science Foundation Ireland (SFI) | en |
dc.contributor.sponsorGrantNumber | 07/RFP/PHYF235 | en |
dc.contributor.sponsor | Science Foundation Ireland (SFI) | en |
dc.contributor.sponsorGrantNumber | 07/IN.1/I945 | en |
dc.contributor.sponsor | European Commission | en |
dc.identifier.uri | http://hdl.handle.net/2262/52950 | |