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Dangling-to-Interstitial Oxygen Transition and Its Modifications of the Electronic Structure in Few-Layer Phosphorene

dc.creatorGómez-Pérez J.F.
dc.creatorCorrea J.D.
dc.creatorPravda C.B.
dc.creatorKónya Z.
dc.creatorKukovecz Á.
dc.date2020
dc.date.accessioned2021-02-05T14:58:04Z
dc.date.available2021-02-05T14:58:04Z
dc.identifier.issn19327447
dc.identifier.urihttp://hdl.handle.net/11407/5934
dc.descriptionIn this work, oxidation processes are correlated with the current-voltage characteristics of few-layer black phosphorus obtained by liquid-phase exfoliation. Black phosphorous (BP), a room-temperature p-type semiconductor, exhibits an anomalous switching behavior between 373 and 448 K. The anomalous increase in electrical resistance is explained using a combined spectroscopic and DFT approach. The activation energy for thermally activated electrical conductance was calculated from the current-voltage characteristics and correlated with the oxidation processes. The activation energy for thermally activated electrical conductance in the dangling oxide BP phase was found to be 79.7 meV, ∼40 times lower than that in the interstitial counterpart. First-principles calculations reveal electronic differences between dangling and interstitial oxides, and electrical resistance measurements reveal a Schottky-to-ohmic contact formation related to the differences in the calculated work function of dangling and interstitial oxides. We propose that this phenomenon can be exploited as a fast, economical method for the evaluation of the oxidation processes in few-layer BP. ©
dc.language.isoeng
dc.publisherAmerican Chemical Society
dc.relation.isversionofhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85096065530&doi=10.1021%2facs.jpcc.0c06542&partnerID=40&md5=f3c9c3e9720f1dcbe38f9ea2e742279a
dc.sourceJournal of Physical Chemistry C
dc.titleDangling-to-Interstitial Oxygen Transition and Its Modifications of the Electronic Structure in Few-Layer Phosphorene
dc.typeArticleeng
dc.rights.accessrightsinfo:eu-repo/semantics/restrictedAccess
dc.identifier.doi10.1021/acs.jpcc.0c06542
dc.subject.keywordBlack Phosphoruseng
dc.subject.keywordCalculationseng
dc.subject.keywordCurrent voltage characteristicseng
dc.subject.keywordElectric conductanceeng
dc.subject.keywordElectric resistanceeng
dc.subject.keywordElectronic structureeng
dc.subject.keywordOhmic contactseng
dc.subject.keywordOxidationeng
dc.subject.keywordOxygeneng
dc.subject.keywordPhosphoruseng
dc.subject.keywordElectrical conductanceeng
dc.subject.keywordElectrical resistance measurementeng
dc.subject.keywordElectrical resistanceseng
dc.subject.keywordElectronic differenceseng
dc.subject.keywordFirst-principles calculationeng
dc.subject.keywordInterstitial oxygeneng
dc.subject.keywordOhmic contact formationeng
dc.subject.keywordP type semiconductoreng
dc.subject.keywordActivation energyeng
dc.publisher.facultyFacultad de Ciencias Básicasspa
dc.affiliationGómez-Pérez, J.F., Interdisciplinary Excellence Centre, Department of Applied and Environmental Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged, H-6720, Hungary
dc.affiliationCorrea, J.D., Universidad de Medellín, Facultad de Ciencias Básicas, Medellín, 050026, Colombia
dc.affiliationPravda, C.B., Interdisciplinary Excellence Centre, Department of Applied and Environmental Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged, H-6720, Hungary
dc.affiliationKónya, Z., Interdisciplinary Excellence Centre, Department of Applied and Environmental Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged, H-6720, Hungary, MTA-SZTE Reaction Kinetics and Surface Chemistry Research Group, University of Szeged, Rerrich Béla tér 1, Szeged, H-6720, Hungary
dc.affiliationKukovecz, Á., Interdisciplinary Excellence Centre, Department of Applied and Environmental Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged, H-6720, Hungary
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