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Field Effect and Local Gating in Nitrogen-Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene
dc.creator | Djurišić, Ivana | |
dc.creator | Dražić, Miloš | |
dc.creator | Tomović, Aleksandar | |
dc.creator | Spasenović, Marko | |
dc.creator | Šljivančanin, Zeljko | |
dc.creator | Jovanović, Vladimir P. | |
dc.creator | Žikić, Radomir | |
dc.date.accessioned | 2022-04-05T15:32:09Z | |
dc.date.issued | 2021 | |
dc.identifier.issn | 1439-4235 | |
dc.identifier.uri | http://rimsi.imsi.bg.ac.rs/handle/123456789/1405 | |
dc.description.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. | en |
dc.publisher | Wiley-V C H Verlag Gmbh, Weinheim | |
dc.relation | Swiss National Science Foundation (SCOPES project)Swiss National Science Foundation (SNSF) [152406] | |
dc.relation | FP7-NMP, project acronym nanoDNAsequencing [GA214840] | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200053/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200017/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200026/RS// | |
dc.rights | embargoedAccess | |
dc.rights.uri | https://creativecommons.org/licenses/by-nc/4.0/ | |
dc.source | Chemphyschem | |
dc.subject | termination | en |
dc.subject | sensors | en |
dc.subject | graphene | en |
dc.subject | field effect | en |
dc.subject | DFT plus NEGF | en |
dc.title | Field Effect and Local Gating in Nitrogen-Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene | en |
dc.type | article | |
dc.rights.license | BY-NC | |
dc.citation.epage | 341 | |
dc.citation.issue | 3 | |
dc.citation.other | 22(3): 336-341 | |
dc.citation.rank | M21~ | |
dc.citation.spage | 336 | |
dc.citation.volume | 22 | |
dc.identifier.doi | 10.1002/cphc.202000771 | |
dc.identifier.fulltext | http://rimsi.imsi.bg.ac.rs/bitstream/id/337/1402.pdf | |
dc.identifier.pmid | 33245835 | |
dc.identifier.scopus | 2-s2.0-85097555438 | |
dc.identifier.wos | 000599079400001 | |
dc.type.version | acceptedVersion |