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Topological Line Defects Around Graphene Nanopores for DNA Sequencing
Nakhon Phanom Univ, Fac Sci, Div Phys, Nakhon Phanom 48000, Thailand;Commiss Higher Educ, Thailand Ctr Excellence Phys, 328 Si Ayutthaya Rd, Bangkok 10400, Thailand.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory. Sao Paulo State Univ, UNESP, Inst Theoret Phys, Campus Sao Paulo, BR-01140070 Sao Paulo, Brazil. .
Fed Inst Educ Sci & Technol Espirito Santo, BR-29395000 Ibatiba, ES, Brazil.
Univ Fed Espirito Santo, Dept Fis, BR-29075073 Vitoria, ES, Brazil.
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2018 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 122, no 13, p. 7094-7099Article in journal (Refereed) Published
Abstract [en]

Topological line defects in graphene represent an ideal way to produce highly controlled structures with reduced dimensionality that can be used in electronic devices. In this work, we propose using extended line defects in graphene to improve nucleobase selectivity in nanopore-based DNA sequencing devices. We use a combination of quantum mechanics/molecular mechanics and nonequilibrium Green's function methods to investigate the conductance modulation, fully accounting for solvent effects. By sampling over a large number of different orientations generated from molecular dynamics simulations, we theoretically demonstrate that distinguishing between the four nucleobases using line defects in a graphene-based electronic device appears possible. The changes in conductance are associated with transport across specific molecular states near the Fermi level and their coupling to the pore. Through the application of a specifically tuned gate voltage, such a device would be able to discriminate the four types of nucleobases more reliably than that of graphene sensors without topological line defects.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC , 2018. Vol. 122, no 13, p. 7094-7099
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-352690DOI: 10.1021/acs.jpcc.8b00241ISI: 000429625600009OAI: oai:DiVA.org:uu-352690DiVA, id: diva2:1215651
Funder
Swedish Research Council
Available from: 2018-06-08 Created: 2018-06-08 Last updated: 2018-06-08Bibliographically approved

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Scheicher, Ralph H.

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