A continuum model for yttria-stabilized zirconia incorporating triple phase boundary, lattice structure and immobile oxide ions

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dc.bibliographicCitation.firstPage2907eng
dc.bibliographicCitation.lastPage2926eng
dc.contributor.authorVágner, Petr
dc.contributor.authorGuhlke, Clemens
dc.contributor.authorMiloš, Vojtěch
dc.contributor.authorMüller, Rüdiger
dc.contributor.authorFuhrmann, Jürgen
dc.date.accessioned2021-11-10T10:53:45Z
dc.date.available2021-11-10T10:53:45Z
dc.date.issued2019
dc.description.abstractA continuum model for yttria-stabilized zirconia (YSZ) in the framework of non-equilibrium thermodynamics is developed. Particular attention is given to (i) modeling of the YSZ-metal-gas triple phase boundary, (ii) incorporation of the lattice structure and immobile oxide ions within the free energy model and (iii) surface reactions. A finite volume discretization method based on modified Scharfetter-Gummel fluxes is derived in order to perform numerical simulations. The model is used to study the impact of yttria and immobile oxide ions on the structure of the charged boundary layer and the double layer capacitance. Cyclic voltammograms of an air-half cell are simulated to study the effect of parameter variations on surface reactions, adsorption and anion diffusion. © 2019, The Author(s).eng
dc.description.versionpublishedVersioneng
dc.identifier.urihttps://oa.tib.eu/renate/handle/123456789/7232
dc.identifier.urihttps://doi.org/10.34657/6279
dc.language.isoengeng
dc.publisherBerlin ; Heidelberg ; New York : Springereng
dc.relation.doihttps://doi.org/10.1007/s10008-019-04356-9
dc.relation.essn1433-0768
dc.relation.ispartofseriesJournal of solid state electrochemistry : current research and development in science and technology 23 (2019), Nr. 10eng
dc.rights.licenseCC BY 4.0 Unportedeng
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/eng
dc.subjectDouble layereng
dc.subjectFinite volume methodeng
dc.subjectInterfaceeng
dc.subjectSolid oxideeng
dc.subjectThermodynamicseng
dc.subject.ddc540eng
dc.titleA continuum model for yttria-stabilized zirconia incorporating triple phase boundary, lattice structure and immobile oxide ionseng
dc.typearticleeng
dc.typeTexteng
dcterms.bibliographicCitation.journalTitleJournal of solid state electrochemistry : current research and development in science and technologyeng
tib.accessRightsopenAccesseng
wgl.contributorWIASeng
wgl.subjectChemieeng
wgl.typeZeitschriftenartikeleng
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