WS2 as an excellent high-temperature thermoelectric material

Appala Gandi; Udo Schwingenschlögl

doi:10.1021/cm503487n

WS2 as an excellent high-temperature thermoelectric material

Appala Gandi, Udo Schwingenschlögl

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

92 Scopus citations

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.

Original language	English (US)
Pages (from-to)	6628-6637
Number of pages	10
Journal	Chemistry of Materials
Volume	26
Issue number	22
DOIs	https://doi.org/10.1021/cm503487n
State	Published - Nov 13 2014

ASJC Scopus subject areas

Materials Chemistry
General Chemical Engineering
General Chemistry

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10.1021/cm503487n

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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.",

author = "Appala Gandi and Udo Schwingenschl{\"o}gl",

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). Computational resources were provided by the Supercomputing Laboratory of KAUST.",

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doi = "10.1021/cm503487n",

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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). Computational resources were provided by the Supercomputing Laboratory of KAUST.

PY - 2014/11/13

Y1 - 2014/11/13

N2 - 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.

AB - 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.

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ER -

WS2 as an excellent high-temperature thermoelectric material

Abstract

ASJC Scopus subject areas

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