WS2 as an excellent high-temperature thermoelectric material

Handle URI:
http://hdl.handle.net/10754/563867
Title:
WS2 as an excellent high-temperature thermoelectric material
Authors:
Gandi, Appala; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
The potential of WS2 as a thermoelectric material is assessed. The electronic contribution to the thermoelectric properties is calculated within the constant relaxation time approximation from the electronic band structure, whereas the lattice contribution is evaluated using self-consistently calculated phonon lifetimes. In addition, the dependence of the lattice thermal conductivity on the mean free path of the phonons is determined.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
American Chemical Society (ACS)
Journal:
Chemistry of Materials
Issue Date:
25-Nov-2014
DOI:
10.1021/cm503487n
Type:
Article
ISSN:
08974756
Sponsors:
Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST). Computational resources were provided by the Supercomputing Laboratory of KAUST.
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorGandi, Appalaen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-03T12:17:36Zen
dc.date.available2015-08-03T12:17:36Zen
dc.date.issued2014-11-25en
dc.identifier.issn08974756en
dc.identifier.doi10.1021/cm503487nen
dc.identifier.urihttp://hdl.handle.net/10754/563867en
dc.description.abstractThe potential of WS2 as a thermoelectric material is assessed. The electronic contribution to the thermoelectric properties is calculated within the constant relaxation time approximation from the electronic band structure, whereas the lattice contribution is evaluated using self-consistently calculated phonon lifetimes. In addition, the dependence of the lattice thermal conductivity on the mean free path of the phonons is determined.en
dc.description.sponsorshipResearch reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST). Computational resources were provided by the Supercomputing Laboratory of KAUST.en
dc.publisherAmerican Chemical Society (ACS)en
dc.titleWS2 as an excellent high-temperature thermoelectric materialen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalChemistry of Materialsen
kaust.authorGandi, Appalaen
kaust.authorSchwingenschlögl, Udoen
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