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dc.creatorDjurišić, Ivana
dc.creatorDražić, Miloš S.
dc.creatorTomović, Aleksandar Ž.
dc.creatorSpasenović, Marko
dc.creatorŠljivančanin, Željko
dc.creatorJovanović, Vladimir P.
dc.creatorZikić, Radomir
dc.date.accessioned2020-12-29T10:23:10Z
dc.date.available2020-12-29T10:23:10Z
dc.date.issued2021
dc.identifier.issn1439-4235
dc.identifier.issn1439-7641
dc.identifier.urihttps://cer.ihtm.bg.ac.rs/handle/123456789/4049
dc.description.abstractSingle-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.
dc.publisherWileyen
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200053/RS//en
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200017/RS//en
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200026/RS//en
dc.relationSwiss National Science Foundation (SCOPES project No. 152406)en
dc.relationinfo:eu-repo/grantAgreement/EC/FP7/214840/EU//
dc.rightsembargoedAccess
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.sourceChemPhysChemen
dc.subjectGraphene
dc.subjectNanogaps
dc.subjectNon‐equilibrium Green′s functions
dc.subjectNitrogen‐terminated nanogaps (NtNGs)
dc.subjectNitrogen‐terminated nanopores (NtNPs)
dc.subjectnanogap
dc.subjectnanopore
dc.subjectfield effect
dc.subjecttermination
dc.titleField Effect and Local Gating in Nitrogen‐Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Grapheneen
dc.typearticleen
dc.rights.licenseBY-NC-ND
dcterms.abstractШљиванчанин, Жељко; Дјуришић, Ивана; Дражић, Милош С.; Томовић, Aлександар Ж.; Спасеновић, Марко; Јовановић, Владимир П.; Зикић, Радомир;
dc.rights.holderWiley
dc.citation.volume22
dc.citation.issue3
dc.citation.spage336
dc.citation.epage341
dc.citation.rankM21~
dc.description.otherThis 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
dc.description.otherThe published version: [https://cer.ihtm.bg.ac.rs/handle/123456789/4044]
dc.description.otherThe accepted version: [https://cer.ihtm.bg.ac.rs/handle/123456789/4048]
dc.identifier.doi10.1002/cphc.202000771
dc.identifier.fulltexthttps://cer.ihtm.bg.ac.rs/bitstream/id/18561/1812.10329.pdf
dc.identifier.scopus2-s2.0-85097555438
dc.identifier.wos000599079400001
dc.type.versionsubmittedVersion


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