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High Thermoelectric Performance in Two-Dimensional Janus Monolayer Material WS-X (X = Se and Te).


ABSTRACT: In the present work, Janus monolayers WSSe and WSTe are investigated by combining first-principles calculations and semiclassical Boltzmann transport theory. Janus WSSe and WSTe monolayers show a direct band gap of 1.72 and 1.84 eV at K-points, respectively. These layered materials have an extraordinary Seebeck coefficient and electrical conductivity. This combination of high Seebeck coefficient and high electrical conductivity leads to a significantly large power factor. In addition, the lattice thermal conductivity in the Janus monolayer is found to be relatively very low as compared to the WS2 monolayer. This leads to a high figure of merit (ZT) value of 2.56 at higher temperatures for the Janus WSTe monolayer. We propose that the Janus WSTe monolayer could be used as a potential thermoelectric material due to its high thermoelectric performance. The result suggests that the Janus monolayer is a better candidate for excellent thermoelectric conversion.

SUBMITTER: Patel A 

PROVIDER: S-EPMC7584335 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature

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High Thermoelectric Performance in Two-Dimensional Janus Monolayer Material WS-X (<i>X</i> = Se and Te).

Patel Abhishek A   Singh Deobrat D   Sonvane Yogesh Y   Thakor P B PB   Ahuja Rajeev R  

ACS applied materials & interfaces 20200930 41


In the present work, Janus monolayers WSSe and WSTe are investigated by combining first-principles calculations and semiclassical Boltzmann transport theory. Janus WSSe and WSTe monolayers show a direct band gap of 1.72 and 1.84 eV at K-points, respectively. These layered materials have an extraordinary Seebeck coefficient and electrical conductivity. This combination of high Seebeck coefficient and high electrical conductivity leads to a significantly large power factor. In addition, the lattic  ...[more]

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