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2020-05-11Habilitation DOI: 10.18452/21246
Progress in Understanding Structure and Reactivity of Transition Metal Oxide Surfaces
dc.contributor.authorPaier, Joachim
dc.date.accessioned2020-05-11T09:12:16Z
dc.date.available2020-05-11T09:12:16Z
dc.date.issued2020-05-11none
dc.identifier.urihttp://edoc.hu-berlin.de/18452/22126
dc.description.abstractDie vorliegende Habilitationsschrift bespricht aktuelle Ergebnisse zur Struktur und Reaktivität von Übergangsmetalloxidoberflächen. Es werden eingangs Grundlagen zur Berechnung von Eigenschaften von Oberflächen mittels Dichtefunktionaltheorie vorgestellt. Des Weiteren werden anhand von drei untersuchten Oxiden, nämlich dem Vanadium(III)-oxid, dem Cer(IV)-oxid, und dem Eisen(II,III)-oxid, der aktuelle Forschungsstand im Hinblick auf Oberflächenstruktur und Reaktivität von Phasengrenzen, wie z.B. der Phasengrenze zwischen Vanadium(V)-oxid und Cer(IV)-oxid und der Phasengrenze zwischen Wasser und Eisen(II,III)-oxid dargelegt.ger
dc.description.abstractThe present habilitation thesis discusses results on structure and reactivity of transition metal oxide surfaces obtained using state-of-the-art density functional theory methods. First, fundamental issues of density functional theory are presented. Furthermore, the current state in research with respect to surface structure on one hand and reactivities of interfaces between different oxides like vanadium(III) and cerium(IV) oxide or water and iron(II,III) oxide on the other hand are developed.eng
dc.language.isoengnone
dc.publisherHumboldt-Universität zu Berlin
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/
dc.subjectDichtefunktionaltheorieger
dc.subjectVanadiumoxidger
dc.subjectCerdioxidger
dc.subjectEisenoxidger
dc.subjectInfrarotspektroskopieger
dc.subjectDensity functional theoryeng
dc.subjectVanadium oxideeng
dc.subjectcerium oxideeng
dc.subjectiron oxideeng
dc.subjectinfrared spectroscopyeng
dc.subject.ddc541 Physikalische Chemienone
dc.titleProgress in Understanding Structure and Reactivity of Transition Metal Oxide Surfacesnone
dc.typedoctoralThesis
dc.identifier.urnurn:nbn:de:kobv:11-110-18452/22126-3
dc.identifier.doihttp://dx.doi.org/10.18452/21246
dc.date.accepted2020-01-21
dc.contributor.refereeSauer, Joachim
dc.contributor.refereeReuter, Karsten
dc.contributor.refereeHeine, Thomas
dc.subject.rvkVE 7007
dc.subject.rvkVC 6107
local.edoc.pages317none
local.edoc.type-nameHabilitation
local.edoc.institutionMathematisch-Naturwissenschaftliche Fakultätnone
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