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dc.contributor.authorSarath Kumar, S. R.
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2015-08-03T12:30:31Z
dc.date.available2015-08-03T12:30:31Z
dc.date.issued2015-02-05
dc.identifier.citationKumar, S., & Schwingenschlögl, U. (2015). Thermoelectric Response of Bulk and Monolayer MoSe2 and WSe2. Chemistry of Materials, 27(4), 1278–1284. doi:10.1021/cm504244b
dc.identifier.issn08974756
dc.identifier.doi10.1021/cm504244b
dc.identifier.urihttp://hdl.handle.net/10754/564065
dc.description.abstractWe study the thermoelectric properties of bulk and monolayer MoSe2 and WSe2 by first-principles calculations and semiclassical Boltzmann transport theory. The lattice thermal conductivity is calculated using the self-consistent iterative approach as well as the single-mode relaxation time approximation. The acoustical and optical contributions to the lattice thermal conductivity are evaluated along with the influence of the phonon mean free path. The employed methodology enables a quantitative comparison of the thermoelectric properties of transition-metal dichalcogenides. In particular, WSe2 is found to be superior to MoSe2 for thermoelectric applications.
dc.description.sponsorshipResearch reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).
dc.publisherAmerican Chemical Society (ACS)
dc.titleThermoelectric response of bulk and monolayer MoSe2 and WSe2
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.journalChemistry of Materials
kaust.personSchwingenschlögl, Udo
kaust.personSarath Kumar, S. R.
dc.date.published-online2015-02-05
dc.date.published-print2015-02-24


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