Details
| Original language | English |
|---|---|
| Pages (from-to) | 25126-25135 |
| Number of pages | 10 |
| Journal | Physical Chemistry Chemical Physics |
| Volume | 23 |
| Issue number | 44 |
| Early online date | 14 Oct 2021 |
| Publication status | Published - 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.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- General Physics and Astronomy
- Chemistry(all)
- Physical and Theoretical Chemistry
Cite this
- Standard
- Harvard
- Apa
- Vancouver
- BibTeX
- RIS
In: Physical Chemistry Chemical Physics, Vol. 23, No. 44, 28.11.2021, p. 25126-25135.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - In-plane graphene/h-BN/graphene heterostructures with nanopores for electrical detection of DNA nucleotides
AU - Kiakojouri, Ali
AU - Frank, Irmgard
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.
PY - 2021/11/28
Y1 - 2021/11/28
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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85119719736&partnerID=8YFLogxK
U2 - 10.1039/d1cp03597e
DO - 10.1039/d1cp03597e
M3 - Article
AN - SCOPUS:85119719736
VL - 23
SP - 25126
EP - 25135
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
SN - 1463-9076
IS - 44
ER -