Field Effect and Local Gating in Nitrogen‐Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene

Single-molecule biosensing, with a promise of being applied in protein and DNA sequencing, could be achieved using tunneling current approach. Electrode-molecule-electrode tunneling current critically depends on whether molecular levels contribute to electronic transport or not. Here we found employing DFT and Non-Equilibrium Green's Function formalism that energies of benzene molecular levels placed between graphene electrodes are strongly influenced by electrode termination. Termination-dependent dipoles formed at the electrode ends induce in-gap field effect that is responsible for shifting of molecular levels. We show that the HOMO is closest to Fermi energy for nitrogen-terminated nanogaps (NtNGs) and nanopores (NtNPs), promoting them as strong candidates for single-molecule sensing applications.

Ključne reči:

Graphene / Nanogaps / Non‐equilibrium Green′s functions / Nitrogen‐terminated nanogaps (NtNGs) / Nitrogen‐terminated nanopores (NtNPs) / nanogap / nanopore / field effect / termination

Izvor:
ChemPhysChem, 2021, 22, 3, 336-341

Izdavač:

Wiley

Finansiranje / projekti:

Ministarstvo prosvete, nauke i tehnološkog razvoja Republike Srbije, Ugovor br. 200053 (Univerzitet u Beogradu, Institut za multidisciplinarna istraživanja) (RS-200053)
Ministarstvo prosvete, nauke i tehnološkog razvoja Republike Srbije, Ugovor br. 200017 (Univerzitet u Beogradu, Institut za nuklearne nauke Vinča, Beograd-Vinča) (RS-200017)
Ministarstvo prosvete, nauke i tehnološkog razvoja Republike Srbije, Ugovor br. 200026 (Univerzitet u Beogradu, Institut za hemiju, tehnologiju i metalurgiju - IHTM) (RS-200026)
Swiss National Science Foundation (SCOPES project No. 152406)
NanoTools for Ultra Fast DNA Sequencing (EU-214840)

Napomena:

This is the pre-peer reviewed version of the following article: Ivana Djurišić, Miloš S. Dražić, Aleksandar Ž. Tomović, Marko Spasenović, Željko Šljivančanin, Vladimir P. Jovanović, Radomir Zikic, ChemPhysChem, 2020, doi: 10.1002/cphc.202000771 which has been published in final form at https://doi.org/10.1002/cphc.202000771. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions
The published version: https://cer.ihtm.bg.ac.rs/handle/123456789/4044
The accepted version: https://cer.ihtm.bg.ac.rs/handle/123456789/4048

DOI: 10.1002/cphc.202000771

ISSN: 1439-4235; 1439-7641

WoS: 000599079400001

Scopus: 2-s2.0-85097555438

[ Google Scholar ]



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	3

TY  - JOUR
AU  - Djurišić, Ivana
AU  - Dražić, Miloš S.
AU  - Tomović, Aleksandar Ž.
AU  - Spasenović, Marko
AU  - Šljivančanin, Željko
AU  - Jovanović, Vladimir P.
AU  - Zikić, Radomir
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4049
AB  - Single-molecule biosensing, with a promise of being applied in protein and DNA sequencing, could be achieved using tunneling current approach. Electrode-molecule-electrode tunneling current critically depends on whether molecular levels contribute to electronic transport or not. Here we found employing DFT and Non-Equilibrium Green's Function formalism that energies of benzene molecular levels placed between graphene electrodes are strongly influenced by electrode termination. Termination-dependent dipoles formed at the electrode ends induce in-gap field effect that is responsible for shifting of molecular levels. We show that the HOMO is closest to Fermi energy for nitrogen-terminated nanogaps (NtNGs) and nanopores (NtNPs), promoting them as strong candidates for single-molecule sensing applications.
PB  - Wiley
T2  - ChemPhysChem
T1  - Field Effect and Local Gating in Nitrogen‐Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene
VL  - 22
IS  - 3
SP  - 336
EP  - 341
DO  - 10.1002/cphc.202000771
ER  -

@article{
author = "Djurišić, Ivana and Dražić, Miloš S. and Tomović, Aleksandar Ž. and Spasenović, Marko and Šljivančanin, Željko and Jovanović, Vladimir P. and Zikić, Radomir",
year = "2021",
abstract = "Single-molecule biosensing, with a promise of being applied in protein and DNA sequencing, could be achieved using tunneling current approach. Electrode-molecule-electrode tunneling current critically depends on whether molecular levels contribute to electronic transport or not. Here we found employing DFT and Non-Equilibrium Green's Function formalism that energies of benzene molecular levels placed between graphene electrodes are strongly influenced by electrode termination. Termination-dependent dipoles formed at the electrode ends induce in-gap field effect that is responsible for shifting of molecular levels. We show that the HOMO is closest to Fermi energy for nitrogen-terminated nanogaps (NtNGs) and nanopores (NtNPs), promoting them as strong candidates for single-molecule sensing applications.",
publisher = "Wiley",
journal = "ChemPhysChem",
title = "Field Effect and Local Gating in Nitrogen‐Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene",
volume = "22",
number = "3",
pages = "336-341",
doi = "10.1002/cphc.202000771"
}

Djurišić, I., Dražić, M. S., Tomović, A. Ž., Spasenović, M., Šljivančanin, Ž., Jovanović, V. P.,& Zikić, R.. (2021). Field Effect and Local Gating in Nitrogen‐Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene. in ChemPhysChem
Wiley., 22(3), 336-341.
https://doi.org/10.1002/cphc.202000771

Djurišić I, Dražić MS, Tomović AŽ, Spasenović M, Šljivančanin Ž, Jovanović VP, Zikić R. Field Effect and Local Gating in Nitrogen‐Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene. in ChemPhysChem. 2021;22(3):336-341.
doi:10.1002/cphc.202000771 .

Djurišić, Ivana, Dražić, Miloš S., Tomović, Aleksandar Ž., Spasenović, Marko, Šljivančanin, Željko, Jovanović, Vladimir P., Zikić, Radomir, "Field Effect and Local Gating in Nitrogen‐Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene" in ChemPhysChem, 22, no. 3 (2021):336-341,
https://doi.org/10.1002/cphc.202000771 . .