Thermoelectric response of bulk and monolayer MoSe2 and WSe2

S. Kumar, U. Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

319 Scopus citations

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.

Original languageEnglish
Pages (from-to)1278-1284
Number of pages7
JournalChemistry of Materials
Volume27
Issue number4
DOIs
StatePublished - 24 Feb 2015
Externally publishedYes

Bibliographical note

Publisher Copyright:
© 2015 American Chemical Society.

Funding

FundersFunder number
King Abdullah University of Science and Technology

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