Field Effect and Local Gating in Nitrogen‐Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene
Само за регистроване кориснике
2021
Аутори
Đurišić, IvanaDražić, Miloš S.
Tomović, Aleksandar Ž.
Spasenović, Marko
Šljivančanin, Željko
Jovanović, Vladimir P.
Zikić, Radomir
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
Functionalization of electrodes is a wide‐used strategy in various applications ranging from single‐molecule sensing and protein sequencing, to ion trapping, to desalination. We demonstrate, employing non‐equilibrium Green′s function formalism combined with density functional theory, that single‐species (N, H, S, Cl, F) termination of graphene nanogap electrodes results in a strong in‐gap electrostatic field, induced by species‐dependent dipoles formed at the electrode ends. Consequently, the field increases or decreases electronic transport through a molecule (benzene) placed in the nanogap by shifting molecular levels by almost 2 eV in respect to the electrode Fermi level via a field effect akin to the one used for field‐effect transistors. We also observed the local gating in graphene nanopores terminated with different single‐species atoms. Nitrogen‐terminated nanogaps (NtNGs) and nanopores (NtNPs) show the strongest effect. The in‐gap potential can be transformed from a plateau‐li...ke to a saddle‐like shape by tailoring NtNG and NtNP size and termination type. In particular, the saddle‐like potential is applicable in single‐ion trapping and desalination devices.
Кључне речи:
Graphene / Nanogaps / Non‐equilibrium Green′s functions / Nitrogen‐terminated nanogaps (NtNGs) / Nitrogen‐terminated nanopores (NtNPs)Извор:
ChemPhysChem, 2021, 22, 336-341Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200053 (Универзитет у Београду, Институт за мултидисциплинарна истраживања) (RS-MESTD-inst-2020-200053)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200017 (Универзитет у Београду, Институт за нуклеарне науке Винча, Београд-Винча) (RS-MESTD-inst-2020-200017)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200026 (Универзитет у Београду, Институт за хемију, технологију и металургију - ИХТМ) (RS-MESTD-inst-2020-200026)
- NanoTools for Ultra Fast DNA Sequencing (EU-FP7-214840)
- SCOPES [project No. 152406]
DOI: 10.1002/cphc.202000771
ISSN: 1439-4235; 1439-7641
WoS: 000599079400001
Scopus: 2-s2.0-85097555438
Колекције
Институција/група
VinčaTY - JOUR AU - Đurišić, 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://vinar.vin.bg.ac.rs/handle/123456789/9780 AB - Functionalization of electrodes is a wide‐used strategy in various applications ranging from single‐molecule sensing and protein sequencing, to ion trapping, to desalination. We demonstrate, employing non‐equilibrium Green′s function formalism combined with density functional theory, that single‐species (N, H, S, Cl, F) termination of graphene nanogap electrodes results in a strong in‐gap electrostatic field, induced by species‐dependent dipoles formed at the electrode ends. Consequently, the field increases or decreases electronic transport through a molecule (benzene) placed in the nanogap by shifting molecular levels by almost 2 eV in respect to the electrode Fermi level via a field effect akin to the one used for field‐effect transistors. We also observed the local gating in graphene nanopores terminated with different single‐species atoms. Nitrogen‐terminated nanogaps (NtNGs) and nanopores (NtNPs) show the strongest effect. The in‐gap potential can be transformed from a plateau‐like to a saddle‐like shape by tailoring NtNG and NtNP size and termination type. In particular, the saddle‐like potential is applicable in single‐ion trapping and desalination devices. T2 - ChemPhysChem T1 - Field Effect and Local Gating in Nitrogen‐Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene VL - 22 SP - 336 EP - 341 DO - 10.1002/cphc.202000771 ER -
@article{ author = "Đurišić, 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 = "Functionalization of electrodes is a wide‐used strategy in various applications ranging from single‐molecule sensing and protein sequencing, to ion trapping, to desalination. We demonstrate, employing non‐equilibrium Green′s function formalism combined with density functional theory, that single‐species (N, H, S, Cl, F) termination of graphene nanogap electrodes results in a strong in‐gap electrostatic field, induced by species‐dependent dipoles formed at the electrode ends. Consequently, the field increases or decreases electronic transport through a molecule (benzene) placed in the nanogap by shifting molecular levels by almost 2 eV in respect to the electrode Fermi level via a field effect akin to the one used for field‐effect transistors. We also observed the local gating in graphene nanopores terminated with different single‐species atoms. Nitrogen‐terminated nanogaps (NtNGs) and nanopores (NtNPs) show the strongest effect. The in‐gap potential can be transformed from a plateau‐like to a saddle‐like shape by tailoring NtNG and NtNP size and termination type. In particular, the saddle‐like potential is applicable in single‐ion trapping and desalination devices.", journal = "ChemPhysChem", title = "Field Effect and Local Gating in Nitrogen‐Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene", volume = "22", pages = "336-341", doi = "10.1002/cphc.202000771" }
Đurišić, 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, 22, 336-341. https://doi.org/10.1002/cphc.202000771
Đurišić 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;22:336-341. doi:10.1002/cphc.202000771 .
Đurišić, 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 (2021):336-341, https://doi.org/10.1002/cphc.202000771 . .