Field Effect and Local Gating in Nitrogen‐Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene
Аутори
Djurišić, IvanaDražić, Miloš S.
Tomović, Aleksandar Ž.
Spasenović, Marko
Šljivančanin, Željko
Jovanović, Vladimir P.
Zikić, Radomir
Чланак у часопису (Нерецензирана верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
Graphene / Nanogaps / Non‐equilibrium Green′s functions / Nitrogen‐terminated nanogaps (NtNGs) / Nitrogen‐terminated nanopores (NtNPs) / nanogap / nanopore / field effect / terminationИзвор:
ChemPhysChem, 2021, 22, 3, 336-341Издавач:
- Wiley
Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200053 (Универзитет у Београду, Институт за мултидисциплинарна истраживања) (RS-200053)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200017 (Универзитет у Београду, Институт за нуклеарне науке Винча, Београд-Винча) (RS-200017)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200026 (Универзитет у Београду, Институт за хемију, технологију и металургију - ИХТМ) (RS-200026)
- Swiss National Science Foundation (SCOPES project No. 152406)
- NanoTools for Ultra Fast DNA Sequencing (EU-214840)
Напомена:
- 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
Институција/група
IHTMTY - 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 . .