Field Effect and Local Gating in Nitrogen-Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene
2021
Аутори
Djurišić, IvanaDražić, Miloš
Tomović, Aleksandar
Spasenović, Marko
Šljivančanin, Zeljko
Jovanović, Vladimir P.
Žikić, Radomir
Чланак у часопису (Рецензирана 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-...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.
Кључне речи:
termination / sensors / graphene / field effect / DFT plus NEGFИзвор:
Chemphyschem, 2021, 22, 3, 336-341Издавач:
- Wiley-V C H Verlag Gmbh, Weinheim
Финансирање / пројекти:
- Swiss National Science Foundation (SCOPES project)Swiss National Science Foundation (SNSF) [152406]
- FP7-NMP, project acronym nanoDNAsequencing [GA214840]
- 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)
DOI: 10.1002/cphc.202000771
ISSN: 1439-4235
PubMed: 33245835
WoS: 000599079400001
Scopus: 2-s2.0-85097555438
Институција/група
Institut za multidisciplinarna istraživanjaTY - JOUR AU - Djurišić, Ivana AU - Dražić, Miloš AU - Tomović, Aleksandar AU - Spasenović, Marko AU - Šljivančanin, Zeljko AU - Jovanović, Vladimir P. AU - Žikić, Radomir PY - 2021 UR - http://rimsi.imsi.bg.ac.rs/handle/123456789/1405 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. PB - Wiley-V C H Verlag Gmbh, Weinheim T2 - Chemphyschem T1 - Field Effect and Local Gating in Nitrogen-Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene EP - 341 IS - 3 SP - 336 VL - 22 DO - 10.1002/cphc.202000771 ER -
@article{ author = "Djurišić, Ivana and Dražić, Miloš and Tomović, Aleksandar and Spasenović, Marko and Šljivančanin, Zeljko and Jovanović, Vladimir P. and Žikić, 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.", publisher = "Wiley-V C H Verlag Gmbh, Weinheim", journal = "Chemphyschem", title = "Field Effect and Local Gating in Nitrogen-Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene", pages = "341-336", number = "3", volume = "22", doi = "10.1002/cphc.202000771" }
Djurišić, I., Dražić, M., Tomović, A., Spasenović, M., Šljivančanin, Z., Jovanović, V. P.,& Žikić, R.. (2021). Field Effect and Local Gating in Nitrogen-Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene. in Chemphyschem Wiley-V C H Verlag Gmbh, Weinheim., 22(3), 336-341. https://doi.org/10.1002/cphc.202000771
Djurišić I, Dražić M, Tomović A, Spasenović M, Šljivančanin Z, Jovanović VP, Žikić 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, Tomović, Aleksandar, Spasenović, Marko, Šljivančanin, Zeljko, Jovanović, Vladimir P., Žikić, 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 . .