dc.contributor.author | SANVITO, STEFANO | en |
dc.contributor.author | RUNGGER, IVAN | en |
dc.date.accessioned | 2014-01-29T10:46:45Z | |
dc.date.available | 2014-01-29T10:46:45Z | |
dc.date.issued | 2012 | en |
dc.date.submitted | 2012 | en |
dc.identifier.citation | X. Chen, I. Rungger, C. D. Pemmaraju, U. Schwingenschlögl and S. Sanvito, First-principles study of high-conductance DNA sequencing with carbon nanotube electrodes, Physical Review B, 85, 11, 2012, 115436 | en |
dc.identifier.other | Y | en |
dc.description | PUBLISHED | en |
dc.description.abstract | Rapid and cost-effective DNA sequencing at the single nucleotide level might be achieved by measuring
a transverse electronic current as single-stranded DNA is pulled through a nanometer-sized pore. In order to
enhance the electronic coupling between the nucleotides and the electrodes and hence the current signals, we
employ a pair of single-walled close-ended (6,6) carbon nanotubes (CNTs) as electrodes. We then investigate the
electron transport properties of nucleotides sandwiched between such electrodes by using first-principles quantum
transport theory. In particular, we consider the extreme case where the separation between the electrodes is the
smallest possible that still allows the DNA translocation. The benzene-like ring at the end cap of the CNT can
strongly couple with the nucleobases and therefore it can both reduce conformational fluctuations and significantly
improve the conductance. As such, when the electrodes are closely spaced, the nucleobases can pass through
only with their base plane parallel to the plane of CNT end caps. The optimal molecular configurations, at which
the nucleotides strongly couple to the CNTs, and which yield the largest transmission, are first identified. These
correspond approximately to the lowest energy configurations. Then the electronic structures and the electron
transport of these optimal configurations are analyzed. The typical tunneling currents are of the order of 50 nA for
voltages up to 1 V. At higher bias, where resonant transport through the molecular states is possible, the current
is of the order of several
?
A. Below 1 V, the currents associated to the different nucleotides are consistently
distinguishable, with adenine having the largest current, guanine the second largest, cytosine the third and, finally,
thymine the smallest. We further calculate the transmission coefficient profiles as the nucleotides are dragged
along the DNA translocation path and investigate the effects of configurational variations. Based on these results,
we propose a DNA sequencing protocol combining three possible data analysis strategies. | en |
dc.description.sponsorship | X.C. gratefully acknowledges the European Commu-
nity?s Seventh Framework Programme for financial support
(Project: nanoDNAsequencing: NanoTools for Ultra Fast DNA
Sequencing; Grant agreement No. 214840). Additional finan-
cial support has been provided by (C.D.P. and S.S.) Science
Foundation of Ireland (Grant No. 07/IN.1/I945) and (I.R.,
U.S., and S.S.) by the King Abdullah University of Science
and Technology (ACRAB project). Calculations have been
performed on the Shaheen supercomputer at the King Abdullah
University of Science and Technology. Illuminating discussion
with Nadjib Baadji are kindly acknowledged | en |
dc.format.extent | 115436 | en |
dc.language.iso | en | en |
dc.relation.ispartofseries | Physical Review B | en |
dc.relation.ispartofseries | 85 | en |
dc.relation.ispartofseries | 11 | en |
dc.rights | Y | en |
dc.subject | Physics | en |
dc.title | First-principles study of high-conductance DNA sequencing with carbon nanotube electrodes | 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 | 84274 | en |
dc.identifier.doi | http://dx.doi.org/10.1103/PhysRevB.85.115436 | en |
dc.relation.ecprojectid | info:eu-repo/grantAgreement/EC/FP7/214840 | |
dc.relation.ecprojectid | info:eu-repo/grantAgreement/EC/FP7/07/IN.1/I945 | |
dc.subject.TCDTheme | Nanoscience & Materials | en |
dc.identifier.rssuri | http://link.aps.org/doi/10.1103/PhysRevB.85.115436 | en |
dc.identifier.rssuri | http://prb.aps.org/abstract/PRB/v85/i11/e115436 | en |
dc.contributor.sponsor | European Union (EU) | en |
dc.contributor.sponsorGrantNumber | E12366 | en |
dc.contributor.sponsor | European Union (EU) | en |
dc.contributor.sponsorGrantNumber | 214840 | en |
dc.contributor.sponsor | Science Foundation Ireland (SFI) | en |
dc.contributor.sponsorGrantNumber | 07/IN.1/I945 | en |
dc.identifier.uri | http://hdl.handle.net/2262/67945 | |