Significantly improved thermoelectric properties of Nb-doped ZrNiSn half-Heusler compounds

Min, Ruonan; Wang, Yanxia; Chen, Rongchun; Kang, Huijun; Guo, Enyu; Chen, Zongning; Yang, Xiong; Wang, Tongmin

doi:10.1016/j.cej.2022.137898

Cited by 17 publications

(6 citation statements)

References 74 publications

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“…Theoretically, σ is mainly determined by carrier concentration and mobility . Although the computational data demonstrate that the downward movement of the CBM beneficially increases the carrier concentration, the effect of microstructure, including grain size, on carrier mobility is another key σ-determining factor. Figure shows that the grain sizes also exhibit a down-up-down tendency with increasing Ta content, with variations in σ consistent with the trend observed for the grain sizes, which is mainly ascribable to refined grains leading to more grain boundaries and more intense carrier scattering .…”

Section: Resultsmentioning

confidence: 91%

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Enhanced Thermoelectric Properties of Zr_0.85–xHf_xNb_0.15–yTa_yCoSb Medium-Entropy Alloys: Tradeoff between “What to Alloy” and “How Much to Alloy”

et al. 2023

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Although configurational entropy is regarded to be a gene-like performance indicator for thermoelectric (TE) materials, increasing the configurational entropy alone does not guarantee a high TE figure of merit (ZT). Therefore, determining protocols for designing medium-and high-entropy TE materials with high ZT values is imperative. Herein, we provide a strategy for designing high ZT n-type ZrCoSb-based medium-entropy (ME) half-Heusler (HH) alloys and highlight the tradeoff between "what to alloy" and "how much to alloy". As expected, an intrinsically low lattice thermal conductivity of ∼2.24 W m −1 K −1 was obtained at 923 K for the Zr 0.45 Hf 0.4 Nb 0.06 Ta 0.09 CoSb ME HH alloy owing to the synergy between Zr-site disorder, anharmonicity, refined grain size, and entropy-driven multiscale defects. Entropy-driven quantum traps lead to energy-filter effects that concurrently provide optimized Seebeck coefficients and power factors. These favorable modifications enable the Zr 0.45 Hf 0.4 Nb 0.06 Ta 0.09 CoSb ME HH alloy to exhibit a high peak ZT of ∼0.57. The developed design concept provides an effective strategy for enhancing the ZT values of medium-and high-entropy TE materials.

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Section: Resultsmentioning

confidence: 91%

“…Theoretically, σ is mainly determined by carrier concentration and mobility. 39 Although the computational data demonstrate that the downward movement of the CBM beneficially increases the carrier concentration, 40 the effect of microstructure, including grain size, on carrier mobility is another key σ-determining factor.…”

Section: "How Much To Alloy"mentioning

confidence: 99%

Enhanced Thermoelectric Properties of Zr_0.85–xHf_xNb_0.15–yTa_yCoSb Medium-Entropy Alloys: Tradeoff between “What to Alloy” and “How Much to Alloy”

et al. 2023

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“…There are no conicts to declare. 18,[49][50][51][52][53][54] This journal is © The Royal Society of Chemistry 2023…”

Section: Conflicts Of Interestmentioning

confidence: 99%

“…(c) Comparison of the compressive strength of this work with some state-of-art TE materials. (d) Vickers microhardness in this work and other typical thermoelectric materials 18,[49][50][51][52][53][54].…”

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confidence: 99%

Large mass field fluctuation and lattice anharmonicity effects promote thermoelectric and mechanical performances in NbFeSb half-Heusler alloys via Ti/Zr/Hf stepwise doping

Tan¹,

Wang²,

Zhao³

et al. 2023

J. Mater. Chem. A

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“…The ZT values of numerous state-of-the-art thermoelectric materials have been substantially increased in the past few decades. – Nonetheless, many of the materials have certain drawbacks, such as their complicated preparation processes, high-cost raw materials, and toxicity of the constituent elements, which limit their practical applications. CuNi thermoelectric alloys are well-known for their simple processing, nontoxic elements, mechanical robustness, and excellent thermal stability.…”

Section: Introductionmentioning

confidence: 99%

Enhancing the Thermoelectric and Mechanical Properties of CuNiMn Alloys by Introducing Si Impurity Atoms and Twins

Cao,

Li,

Zhang

et al. 2023

ACS Appl. Electron. Mater.

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Constantan (Cu−Ni alloy) has been successfully applied in precision resistors, thermocouples, and other devices because of its low-temperature coefficient of resistivity and favorable thermoelectric properties. The high power factor of CuNiMn alloys endows them with a higher output power density than those of conventional thermoelectric materials. However, as an alloy with intrinsic metallic properties, its high thermal conductivity is also an important factor that limits further improvement in its thermoelectric properties. In this study, CuNiMn alloys doped with Si atoms were prepared by melting and rolling. The thermal conductivity of the cryorolled CuNiMn-2.0 atom % Si alloy decreased effectively to 29.96 W m −1 K −1 at 773 K, which is 36.2% lower than that of the pristine alloy. Moreover, the thermoelectric figure of merit of the cryorolled Cu 56 Ni 42 Mn 2 -2.0 atom % Si alloy reached 0.17 at 773 K, which is 47% higher than that of the as-cast Cu 56 Ni 42 Mn 2 sample. The decreased thermal conductivity of the alloy is attributed to intensified phonon scattering at various frequencies due to the introduction of solid-solution atoms, dislocations, and twin boundaries. These results provide a solution to optimize simultaneously the thermoelectric and mechanical properties for CuNiMn-based alloys.

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Significantly improved thermoelectric properties of Nb-doped ZrNiSn half-Heusler compounds

Cited by 17 publications

References 74 publications

Enhanced Thermoelectric Properties of Zr_0.85–xHf_xNb_0.15–yTa_yCoSb Medium-Entropy Alloys: Tradeoff between “What to Alloy” and “How Much to Alloy”

Enhanced Thermoelectric Properties of Zr_0.85–xHf_xNb_0.15–yTa_yCoSb Medium-Entropy Alloys: Tradeoff between “What to Alloy” and “How Much to Alloy”

Large mass field fluctuation and lattice anharmonicity effects promote thermoelectric and mechanical performances in NbFeSb half-Heusler alloys via Ti/Zr/Hf stepwise doping

Enhancing the Thermoelectric and Mechanical Properties of CuNiMn Alloys by Introducing Si Impurity Atoms and Twins

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Significantly improved thermoelectric properties of Nb-doped ZrNiSn half-Heusler compounds

Cited by 17 publications

References 74 publications

Enhanced Thermoelectric Properties of Zr0.85–xHfxNb0.15–yTayCoSb Medium-Entropy Alloys: Tradeoff between “What to Alloy” and “How Much to Alloy”

Enhanced Thermoelectric Properties of Zr0.85–xHfxNb0.15–yTayCoSb Medium-Entropy Alloys: Tradeoff between “What to Alloy” and “How Much to Alloy”

Large mass field fluctuation and lattice anharmonicity effects promote thermoelectric and mechanical performances in NbFeSb half-Heusler alloys via Ti/Zr/Hf stepwise doping

Enhancing the Thermoelectric and Mechanical Properties of CuNiMn Alloys by Introducing Si Impurity Atoms and Twins

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Enhanced Thermoelectric Properties of Zr_0.85–xHf_xNb_0.15–yTa_yCoSb Medium-Entropy Alloys: Tradeoff between “What to Alloy” and “How Much to Alloy”

Enhanced Thermoelectric Properties of Zr_0.85–xHf_xNb_0.15–yTa_yCoSb Medium-Entropy Alloys: Tradeoff between “What to Alloy” and “How Much to Alloy”