In-plane graphene/h-BN/graphene heterostructures with nanopores for electrical detection of DNA nucleotides

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

Autoren

  • Ali Kiakojouri
  • Irmgard Frank
  • Ebrahim Nadimi

Organisationseinheiten

Externe Organisationen

  • K.N. Toosi University of Technology
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Details

OriginalspracheEnglisch
Seiten (von - bis)25126-25135
Seitenumfang10
FachzeitschriftPhysical Chemistry Chemical Physics
Jahrgang23
Ausgabenummer44
Frühes Online-Datum14 Okt. 2021
PublikationsstatusVeröffentlicht - 28 Nov. 2021

Abstract

The in-plane heterostructure of graphene and h-BN has unique physical and electrical characteristics, which can be exploited for single-molecule DNA sequencing. On this account, we propose a nanostructure based on a nanopore in graphene/h-BN/graphene heterostructures as a viable approach for in-plane electrical detection. The insulating h-BN layer changes the charge transport to the quantum tunneling regime, which is very sensitive to the electrostatic interactions induced by nucleotides during their translocation through the nanopore. Density functional theory (DFT) is utilized to study the membrane/nanopore interactions as well as their interactions with different nucleotides (dAMP, dGMP, dCMP, and dTMP). The results indicate that the nucleotides show stronger interactions with nanopores in h-BN rather than nanopores in pristine graphene. For the calculation of electronic transport, non-equilibrium Green's function (NEGF) formalism at the first principles level is employed. The in-plane currents at different applied voltages are calculated in the presence of different nucleotides in the nanopore. The sensitivity of the proposed nanostructure towards different nucleotides is measured based on the current modulation induced by each nucleotide. The graphene/h-BN/graphene heterostructure shows higher sensitivity toward different nucleotides compared to a similar structure consisting of pristine graphene and can be considered as a promising candidate for DNA sequencing applications.

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In-plane graphene/h-BN/graphene heterostructures with nanopores for electrical detection of DNA nucleotides. / Kiakojouri, Ali; Frank, Irmgard; Nadimi, Ebrahim.
in: Physical Chemistry Chemical Physics, Jahrgang 23, Nr. 44, 28.11.2021, S. 25126-25135.

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

Kiakojouri A, Frank I, Nadimi E. In-plane graphene/h-BN/graphene heterostructures with nanopores for electrical detection of DNA nucleotides. Physical Chemistry Chemical Physics. 2021 Nov 28;23(44):25126-25135. Epub 2021 Okt 14. doi: 10.1039/d1cp03597e
Kiakojouri, Ali ; Frank, Irmgard ; Nadimi, Ebrahim. / In-plane graphene/h-BN/graphene heterostructures with nanopores for electrical detection of DNA nucleotides. in: Physical Chemistry Chemical Physics. 2021 ; Jahrgang 23, Nr. 44. S. 25126-25135.
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AU - Nadimi, Ebrahim

N1 - Funding Information: The authors thank the German Federal Ministry of Education and Research BMBF and the Iranian Ministry for Science, Research and Technology MSRT for partial financial support. We also thank the North German Supercomputing Alliance (Norddeutscher Verbund für Hoch-und Höchstleistungsrechnen – HLRN) for computational resources.

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N2 - The in-plane heterostructure of graphene and h-BN has unique physical and electrical characteristics, which can be exploited for single-molecule DNA sequencing. On this account, we propose a nanostructure based on a nanopore in graphene/h-BN/graphene heterostructures as a viable approach for in-plane electrical detection. The insulating h-BN layer changes the charge transport to the quantum tunneling regime, which is very sensitive to the electrostatic interactions induced by nucleotides during their translocation through the nanopore. Density functional theory (DFT) is utilized to study the membrane/nanopore interactions as well as their interactions with different nucleotides (dAMP, dGMP, dCMP, and dTMP). The results indicate that the nucleotides show stronger interactions with nanopores in h-BN rather than nanopores in pristine graphene. For the calculation of electronic transport, non-equilibrium Green's function (NEGF) formalism at the first principles level is employed. The in-plane currents at different applied voltages are calculated in the presence of different nucleotides in the nanopore. The sensitivity of the proposed nanostructure towards different nucleotides is measured based on the current modulation induced by each nucleotide. The graphene/h-BN/graphene heterostructure shows higher sensitivity toward different nucleotides compared to a similar structure consisting of pristine graphene and can be considered as a promising candidate for DNA sequencing applications.

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