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Thermoelectric properties of n-type ZrNiSn prepared by rapid non-equilibrium laser processing.

ABSTRACT: The traditional manufacturing of thermoelectric (TE) modules is a complex process that requires a long processing time and is high cost. In this work, we introduce a novel one-step 3D printing technique for TE module manufacturing, which integrates the Self-propagation High-temperature Synthesis (SHS) with the Selective Laser Melting (SLM) method. As a demonstration of this technique, bulk ZrNiSn samples were successfully fabricated on a Ti substrate. The effect of SLM processing parameters, such as the laser power and the scanning speed, on the quality of the forming ZrNiSn layers was systematically studied and analyzed, and the optimal processing window for the SLM process was determined. Transport property measurements indicate that the SLM-processed ZrNiSn possesses the maximum thermoelectric figure of merit ZT of 0.39 at 873 K. The interface of the ZrNiSn with the Ti substrate shows good adherence and low contact resistivity. The work demonstrates the viability of the SHS-SLM method for rapid fabrication of TE materials, legs and even modules.

SUBMITTER: Yan Y

PROVIDER: S-EPMC9080093 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature

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Thermoelectric properties of n-type ZrNiSn prepared by rapid non-equilibrium laser processing.

Yan Yonggao Y Geng Wuqian W Qiu Junhao J Ke Hongquan H Luo Chuang C Yang Jihui J Uher Ctirad C Tang Xinfeng X

RSC advances 20180426 28

The traditional manufacturing of thermoelectric (TE) modules is a complex process that requires a long processing time and is high cost. In this work, we introduce a novel one-step 3D printing technique for TE module manufacturing, which integrates the Self-propagation High-temperature Synthesis (SHS) with the Selective Laser Melting (SLM) method. As a demonstration of this technique, bulk ZrNiSn samples were successfully fabricated on a Ti substrate. The effect of SLM processing parameters, suc ...[more]

PMID: 35539494

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Project description:In the wide group of thermoelectric compounds, the half-Heusler ZrNiSn alloy is one of the most promising materials thanks to its thermal stability and narrow band gap, which open it to the possibility of mid-temperature applications. A large variety of defects and doping can be introduced in the ZrNiSn crystalline structure, thus allowing researchers to tune the electronic band structure and enhance the thermoelectric performance. Within this picture, theoretical studies of the electronic properties of perfect and defective ZrNiSn structures can help with the comprehension of the relation between the topology of defects and the thermoelectric features. In this work, a half-Heusler ZrNiSn alloy is studied using different defective models by means of an accurate Density Functional Theory supercell approach. In particular, we decided to model the most common defects related to Ni, which are certainly present in the experimental samples, i.e., interstitial and antisite Ni and a substitutional defect consisting of the replacement of Sn with Sb atoms using concentrations of 3% and 6%. First of all, a comprehensive characterization of the one-electron properties is performed in order to gain deeper insight into the relationship between structural, topological and electronic properties. Then, the effects of the modeled defects on the band structure are analyzed, with particular attention paid to the region between the valence and the conduction bands, where the defective models introduce in-gap states with respect to the perfect ZrNiSn crystal. Finally, the electronic transport properties of perfect and defective structures are computed using semi-classical approximation in the framework of the Boltzmann transport theory as implemented in the Crystal code. The dependence obtained of the Seebeck coefficient and the power factor on the temperature and the carrier concentration shows reasonable agreement with respect to the experimental counterpart, allowing possible rationalization of the effect of the modeled defects on the thermoelectric performance of the synthesized samples. As a general conclusion, defect-free ZrNiSn crystal appears to be the best candidate for thermoelectric applications when compared to interstitial and antisite Ni defective models, and substitutional defects of Sn with Sb atoms (using concentrations of 3% and 6%) do not appreciably improve electronic transport properties.

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Thermoelectric properties of n-type ZrNiSn prepared by rapid non-equilibrium laser processing.

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Thermoelectric properties of n-type ZrNiSn prepared by rapid non-equilibrium laser processing.

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