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Research Article | Open Access

ZrNiSn-based compounds with high thermoelectric performance and ultralow lattice thermal conductivity via introduction of multiscale scattering centers

Ruonan Mina, Yanxia Wangc, Xue Jiangc, Rongchun Chena, Mingyang Lia, Huijun Kanga,b( ), Xiong Yanga( ), Zongning Chena,b, Enyu Guoa,b, Tongmin Wanga,b( )
Key Laboratory of Solidification Control and Digital Preparation Technology (Liaoning Province), School of Materials Science and Engineering, Dalian University of Technology, Dalian, 116024, China
Ningbo Institute of Dalian University of Technology, Ningbo, 315000, China
Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian, 116024, China

Peer review under responsibility of The Chinese Ceramic Society.

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Graphical Abstract

Abstract

The high lattice thermal conductivity of half-Heuslers (HHs) restricts the further enhancement of their thermoelectric figure-of-merit (ZT). In this study, multiscale scattering centers, such as point defects, dislocations, and nanoprecipitates, are synchronously introduced in a n-type ZrNiSn-based HH matrix through Nb doping and Hf substitution. The lattice thermal conductivity is substantially decreased from 4.55 (for the pristine ZrNiSn) to 1.8 W·m−1·K−1 at 1123 K via phonon scattering over a broad wavelength range through the adjustment of multiscale defects. This value is close to the theoretically estimated lowest thermal conductivity. The power factor (PF) is enhanced from 3.25 (for the pristine ZrNiSn) to 5.01 mW·m−1·K−2 for Zr0.66Hf0.30Nb0.04NiSn at 1123 K owing to the donor doping and band regulation via Nb doping and Hf substitution. This can be ascribed to the synergistic interaction between the lowering of the lattice thermal conductivity and retention of the high PF. Consequently, a ZT value of as high as 1.06 is achieved for Zr0.66Hf0.30Nb0.04NiSn at 1123 K. This work demonstrates that these actions are effective in jointly manipulating the transport of electrons and phonons, thereby improving the thermoelectric performance through defect engineering.

Keywords

Half-Heusler compoundsDislocationLattice thermal conductivityNano precipitated phaseMechanical properties

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Journal of Materiomics
Volume 10 Issue 1,
January 2024
Pages 200-209
DOI: 10.1016/j.jmat.2023.05.009
Cite this article:
Min R, Wang Y, Jiang X, et al. ZrNiSn-based compounds with high thermoelectric performance and ultralow lattice thermal conductivity via introduction of multiscale scattering centers. Journal of Materiomics, 2024, 10(1): 200-209. https://doi.org/10.1016/j.jmat.2023.05.009

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Received: 20 April 2023
Revised: 16 May 2023
Accepted: 26 May 2023
Published: 17 June 2023
© 2023 The Authors.

This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
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