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dc.contributor.authorXia, Chuan
dc.contributor.authorLi, Peng
dc.contributor.authorGandi, Appala
dc.contributor.authorSchwingenschlögl, Udo
dc.contributor.authorAlshareef, Husam N.
dc.date.accessioned2015-09-06T13:57:05Z
dc.date.available2015-09-06T13:57:05Z
dc.date.issued2015-09-25
dc.identifier.citationIs NiCo2S4 really a semiconductor? 2015:150831132451002 Chemistry of Materials
dc.identifier.issn0897-4756
dc.identifier.issn1520-5002
dc.identifier.doi10.1021/acs.chemmater.5b01843
dc.identifier.urihttp://hdl.handle.net/10754/576874
dc.description.abstractNiCo2S4 is a technologically important electrode material that has recently achieved remarkable performance in pseu-docapacitor, catalysis, and dye-synthesized solar cell applications.[1-5] Essentially, all reports on this material have pre-sumed it to be semiconducting, like many of the chalcogenides, with a reported band-gap in the range of 1.2-1.7 eV.[6,7] In this report, we have conducted detailed experimental and theoretical studies, most of which done for the first time, which overwhelmingly show that NiCo2S4 is in fact a metal. We have also calculated the Raman spectrum of this mate-rial and experimentally verified it for the first time, hence clarifying inconsistent Raman spectra reports. Some of the key results that support our conclusions include: (1) the measured carrier density in NiCo2S4 is 3.18×1022 cm-3, (2) Ni-Co2S4 has a room temperature resistivity of around 103 µΩ cm which increases with temperature, (3) NiCo2S4 exhibits a quadratic dependence of the magnetoresistance on magnetic field, (4) thermopower measurements show an extremely low Seebeck coefficient of 5 µV K-1, (5) first principles calculations confirm that NiCo2S4 is a metal. These results sug-gest that it is time to re-think the presumed semiconducting nature of this promising material. They also suggest that the metallic conductivity is another reason (besides the known significant redox activity) behind the excellent perfor-mance reported for this material.
dc.language.isoen
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttp://pubs.acs.org/doi/10.1021/acs.chemmater.5b01843
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in Chemistry of Materials, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/10.1021/acs.chemmater.5b01843.
dc.titleIs NiCo2S4 really a semiconductor?
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentFunctional Nanomaterials and Devices Research Group
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalChemistry of Materials
dc.eprint.versionPost-print
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personXia, Chuan
kaust.personLi, Peng
kaust.personGandi, Appala
kaust.personSchwingenschlögl, Udo
kaust.personAlshareef, Husam N.
refterms.dateFOA2016-08-31T00:00:00Z
dc.date.published-online2015-09-25
dc.date.published-print2015-10-13


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