Field Effect and Local Gating in Nitrogen-Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene
2021
Authors
Djurišić, IvanaDražić, Miloš
Tomović, Aleksandar
Spasenović, Marko
Šljivančanin, Zeljko
Jovanović, Vladimir P.
Žikić, Radomir
Article (Accepted Version)
Metadata
Show full item recordAbstract
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.
Keywords:
termination / sensors / graphene / field effect / DFT plus NEGFSource:
Chemphyschem, 2021, 22, 3, 336-341Publisher:
- Wiley-V C H Verlag Gmbh, Weinheim
Funding / projects:
- Swiss National Science Foundation (SCOPES project)Swiss National Science Foundation (SNSF) [152406]
- FP7-NMP, project acronym nanoDNAsequencing [GA214840]
- Ministry of Science, Technological Development and Innovation of the Republic of Serbia, institutional funding - 200053 (University of Belgrade, Institute for Multidisciplinary Research) (RS-MESTD-inst-2020-200053)
- Ministry of Science, Technological Development and Innovation of the Republic of Serbia, institutional funding - 200017 (University of Belgrade, Institute of Nuclear Sciences 'Vinča', Belgrade-Vinča) (RS-MESTD-inst-2020-200017)
- Ministry of Science, Technological Development and Innovation of the Republic of Serbia, institutional funding - 200026 (University of Belgrade, Institute of Chemistry, Technology and Metallurgy - IChTM) (RS-MESTD-inst-2020-200026)
DOI: 10.1002/cphc.202000771
ISSN: 1439-4235
PubMed: 33245835
WoS: 000599079400001
Scopus: 2-s2.0-85097555438
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Institution/Community
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 . .