Issue 24, 2020

Ternary selenides A2Sb4Se8 (A = K, Rb and Cs) as an n-type thermoelectric material with high power factor and low lattice thermal conductivity: importance of the conformationally flexible Sb–Se–Se–Sb bridges

Abstract

We investigated the thermoelectric properties of the layered ternary selenides A2Sb4Se8 (A = K, Rb and Cs) and the lattice thermal conductivity of K2Sb4Se8 on the basis of DFT calculations, to find that these selenides are a high-performance n-type thermoelectric material. The Seebeck coefficients and power factors calculated for the electron carriers of A2Sb4Se8 (A = K, Rb and Cs) are greater than those of the well-known thermoelectric materials Bi2Te3 and PbTe. The lattice thermal conductivity κlatt of K2Sb4Se8 is comparable to that of PbTe, well-known for its low lattice thermal conductivity. In terms of both electronic and phonon structures, the structural parts of the A2Sb4Se8 (A = K, Rb and Cs) phases crucial for their thermoelectric properties are the conformationally-flexible Sb–Se–Se–Sb bridges that interlink between their structurally rigid units.

Graphical abstract: Ternary selenides A2Sb4Se8 (A = K, Rb and Cs) as an n-type thermoelectric material with high power factor and low lattice thermal conductivity: importance of the conformationally flexible Sb–Se–Se–Sb bridges

Supplementary files

Article information

Article type
Paper
Submitted
24 Feb 2020
Accepted
30 Mar 2020
First published
07 Apr 2020
This article is Open Access
Creative Commons BY license

RSC Adv., 2020,10, 14415-14421

Ternary selenides A2Sb4Se8 (A = K, Rb and Cs) as an n-type thermoelectric material with high power factor and low lattice thermal conductivity: importance of the conformationally flexible Sb–Se–Se–Sb bridges

C. Lee, S. Kim, W. Son, J. Shim and M. Whangbo, RSC Adv., 2020, 10, 14415 DOI: 10.1039/D0RA01751E

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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