Thermoelectric response of bulk and monolayer MoSe2 and WSe2

S. Kumar; U. Schwingenschlögl

doi:10.1021/cm504244b

Thermoelectric response of bulk and monolayer MoSe₂ and WSe₂

S. Kumar, U. Schwingenschlögl

King Abdullah University of Science and Technology

Research output: Contribution to journal › Article › peer-review

348 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
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 - 24 Feb 2015
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2015 American Chemical Society.

Funding

Funders	Funder number
King Abdullah University of Science and Technology

Access to Document

10.1021/cm504244b

Cite this

@article{186e90ae073c44ef92a3af42ab8cf2ef,

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 = "S. Kumar and U. Schwingenschl{\"o}gl",

note = "Publisher Copyright: {\textcopyright} 2015 American Chemical Society.",

year = "2015",

month = feb,

day = "24",

doi = "10.1021/cm504244b",

language = "אנגלית",

volume = "27",

pages = "1278--1284",

journal = "Chemistry of Materials",

issn = "0897-4756",

publisher = "American Chemical Society",

number = "4",

}

TY - JOUR

T1 - Thermoelectric response of bulk and monolayer MoSe2 and WSe2

AU - Kumar, S.

AU - Schwingenschlögl, U.

PY - 2015/2/24

Y1 - 2015/2/24

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.

UR - http://www.scopus.com/inward/record.url?scp=84923382894&partnerID=8YFLogxK

U2 - 10.1021/cm504244b

DO - 10.1021/cm504244b

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:84923382894

SN - 0897-4756

VL - 27

SP - 1278

EP - 1284

JO - Chemistry of Materials

JF - Chemistry of Materials

IS - 4

ER -