Thermoelectric response of bulk and monolayer MoSe2 and WSe2

Handle URI:
http://hdl.handle.net/10754/564065
Title:
Thermoelectric response of bulk and monolayer MoSe2 and WSe2
Authors:
Sarath Kumar, S. R.; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
We 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.
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:
24-Feb-2015
DOI:
10.1021/cm504244b
Type:
Article
ISSN:
08974756
Sponsors:
Research reported in this publication was supported by the King Abdullah University of Science and Technology (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.authorSarath Kumar, S. R.en
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-03T12:30:31Zen
dc.date.available2015-08-03T12:30:31Zen
dc.date.issued2015-02-24en
dc.identifier.issn08974756en
dc.identifier.doi10.1021/cm504244ben
dc.identifier.urihttp://hdl.handle.net/10754/564065en
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.en
dc.description.sponsorshipResearch reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).en
dc.publisherAmerican Chemical Society (ACS)en
dc.titleThermoelectric response of bulk and monolayer MoSe2 and WSe2en
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.authorSchwingenschlögl, Udoen
kaust.authorSarath Kumar, S. R.en
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