Topological Line Defects Around Graphene Nanopores for DNA Sequencing

Autor(es)

Prasongkit, Jariyanee ^{[1, 2]} ; Martins, Ernane de Freitas ^{[3, 4]} ; de Souza, Fabio A. L. ^[5] ; Scopel, Wanderla L. ^[6] ; Amorim, Rodrigo G. ^[7] ; Amornkitbamrung, Vittaya ^[8] ; Rocha, Alexandre R. ^[4] ; Scheicher, Ralph H. ^[3]

Afiliação do(s) autor(es)

^[1] Nakhon Phanom Univ, Fac Sci, Div Phys, Nakhon Phanom 48000 - Thailand

^[2] Commiss Higher Educ, Thailand Ctr Excellence Phys, 328 Si Ayutthaya Rd, Bangkok 10400 - Thailand

^[3] Uppsala Univ, Dept Phys & Astron, Div Mat Theory, SE-75120 Uppsala - Sweden

^[4] Sao Paulo State Univ, UNESP, Inst Theoret Phys, Campus Sao Paulo, BR-01140070 Sao Paulo - Brazil

^[5] Fed Inst Educ Sci & Technol Espirito Santo, BR-29395000 Ibatiba, ES - Brazil

^[6] Univ Fed Espirito Santo, Dept Fis, BR-29075073 Vitoria, ES - Brazil

^[7] UFF, ICEx, Dept Fis, BR-27213145 Volta Redonda, RJ - Brazil

^[8] Khon Kaen Univ, Fac Sci, Integrated Nanotechnol Res Ctr, Dept Phys, Khon Kaen 40002 - Thailand

• Tipo de documento: Artigo Científico
• Fonte: Journal of Physical Chemistry C; v. 122, n. 13, p. 7094-7099, APR 5 2018.
• Citações Web of Science: 3

Resumo

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. (AU)

• Processo FAPESP: 16/01343-7 - ICTP Instituto Sul-Americano para Física Fundamental: um centro regional para física teórica
• Beneficiário: Nathan Jacob Berkovits
• Modalidade de apoio: Auxílio à Pesquisa - Projetos Especiais