Thermoelectric response of bulk and monolayer MoSe2 and WSe2

S. R. Sarath Kumar; Udo Schwingenschlögl

doi:10.1021/cm504244b

Thermoelectric response of bulk and monolayer MoSe2 and WSe2

S. R. Sarath Kumar, Udo Schwingenschlögl

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341 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 language	English (US)
Pages (from-to)	1278-1284
Number of pages	7
Journal	Chemistry of Materials
Volume	27
Issue number	4
DOIs	https://doi.org/10.1021/cm504244b
State	Published - Feb 5 2015

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).

ASJC Scopus subject areas

Materials Chemistry
General Chemical Engineering
General Chemistry

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10.1021/cm504244b

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title = "Thermoelectric response of bulk and monolayer MoSe2 and WSe2",

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.",

author = "{Sarath Kumar}, {S. R.} and Udo Schwingenschl{\"o}gl",

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AU - Sarath Kumar, S. R.

AU - Schwingenschlögl, Udo

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).

PY - 2015/2/5

Y1 - 2015/2/5

N2 - 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.

AB - 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.

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JO - Chemistry of Materials

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ER -

Thermoelectric response of bulk and monolayer MoSe2 and WSe2

Abstract

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