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dc.contributor.authorSaeed, Y.
dc.contributor.authorSingh, Nirpendra
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2014-08-27T09:50:53Z
dc.date.available2014-08-27T09:50:53Z
dc.date.issued2014-03-17
dc.identifier.citationSaeed Y, Singh N, Schwingenschlögl U (2014) Superior thermoelectric response in the 3R phases of hydrated NaxRhO2. Sci Rep 4. doi:10.1038/srep04390.
dc.identifier.issn20452322
dc.identifier.pmid24633155
dc.identifier.doi10.1038/srep04390
dc.identifier.urihttp://hdl.handle.net/10754/325426
dc.description.abstractDensity functional theory is used to investigate the thermoelectric properties of the 3R phases of NaxRhO2 for different Na vacancy configurations and concentrations. As compared to the analogous 2H phases, the modified stacking of the atomic layers in the 3R phases reduces the interlayer coupling. As a consequence, the 3R phases are found to be superior in the technologically relevant temperature range. The Rh d3z2-r2 orbitals still govern the valence band maxima and therefore determine the transport properties. A high figure of merit of 0.35 is achieved in hydrated Na0.83RhO2 at 580 K by water intercalation, which is 34% higher than in the non-hydrated phase.
dc.language.isoen
dc.publisherNature Publishing Group
dc.relation.urlhttp://arxiv.org/abs/1311.3402
dc.rightsThis work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/3.0/
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/
dc.titleSuperior thermoelectric response in the 3R phases of hydrated NaxRhO2
dc.typeArticle
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.identifier.journalScientific Reports
dc.identifier.pmcidPMC3955903
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionUnidad Académica de Sistemas Arrecifales (Puerto Morelos), Instituto de Ciencias Del Mar y Limnología, Universidad Nacional Autõnoma de México, Puerto Morelos, QR 77580, Mexico
dc.contributor.institutionSchool of Natural Sciences, University of California Merced, 5200 North Lake Road, Merced, CA 95343, United States
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
dc.identifier.arxividarXiv:1311.3402
kaust.personSaeed, Yasir
kaust.personSingh, Nirpendra
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-13T13:22:12Z


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This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/3.0/
Except where otherwise noted, this item's license is described as This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/3.0/