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Theoretical Study of Electronic Transport through DNA Nucleotides in a Double-Functionalized Graphene Nanogap
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
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2013 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 117, no 29, 15421-15428 p.Article in journal (Refereed) Published
Abstract [en]

Graphene nanogaps and nanopores show potential for the purpose of electrical DNA sequencing, in particular because single-base resolution appears to be readily achievable. Here, we evaluated from first principles the advantages of a nanogap setup with functionalized graphene edges. To this end, we employed density functional theory and the non-equilibrium Green's function method to investigate the transverse conductance properties of the four nucleotides occurring in DNA when located between opposing functionalized graphene electrodes. In particular, we determined the electrical tunneling current variation as a function of the applied bias and analyzed the associated differential conductance at a voltage which appears suitable to distinguish between the four nucleotides. Intriguingly, we predict for one of the nucleotides (deoxyguanosine monophosphate) a negative differential resistance effect.

Place, publisher, year, edition, pages
2013. Vol. 117, no 29, 15421-15428 p.
Keyword [en]
Negative Differential Resistance, Nanopore Sensors, Sequencing Dna, Translocation, Edge, Modulation, Junctions, Density, Device, Layer
National Category
Physical Chemistry
URN: urn:nbn:se:kth:diva-129126DOI: 10.1021/jp4048743ISI: 000322503600064ScopusID: 2-s2.0-84880849363OAI: diva2:650143
Swedish Research Council, 621-2009-3628 2012-4379

QC 20130920

Available from: 2013-09-20 Created: 2013-09-19 Last updated: 2013-09-20Bibliographically approved

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Ahuja, Rajeev
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