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dc.contributor.authorSaeed, Yasir
dc.contributor.authorSingh, Nirpendra
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2015-08-03T09:46:04Z
dc.date.available2015-08-03T09:46:04Z
dc.date.issued2012-04-12
dc.identifier.issn1616301X
dc.identifier.doi10.1002/adfm.201103106
dc.identifier.urihttp://hdl.handle.net/10754/562155
dc.description.abstractThe thermoelectric properties of the layered oxides KxRhO 2 (x = 1/2 and 7/8) are investigated by means of the electronic structure, as determined by ab inito calculations and Boltzmann transport theory. In general, the electronic structure of K xRhO 2 is similar to Na xCoO 2, but with strongly enhanced transport. K 7/8RhO 2 exceeds the ultrahigh power factor of Na 0.88CoO 2 reported previously by more than 50%. The roles of the cation concentration and the lattice parameters in the transport properties in this class of compounds are explained. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
dc.publisherWiley
dc.relation.urlhttp://arxiv.org/pdf/1311.3402
dc.rightsArchived with thanks to Wiley
dc.subjectdensity functional theory
dc.subjectlayered oxides
dc.subjectpower factors
dc.subjecttransport properties
dc.titleColossal Thermoelectric Power Factor in $K_{7/8}RhO_2$
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalAdvanced Functional Materials
dc.eprint.versionPre-print
dc.identifier.arxividarXiv:1311.3402
kaust.personSaeed, Yasir
kaust.personSingh, Nirpendra
kaust.personSchwingenschlögl, Udo
dc.versionv1
refterms.dateFOA2020-01-14T11:44:09Z
dc.date.published-online2012-04-12
dc.date.published-print2012-07-10


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