Phase Boundary Mapping in ZrNiSn Half-Heusler for Enhanced Thermoelectric Performance

Li, Xiaofang; Yang, Pengbo; Wang, Yumei; Zhang, Zongwei; Qin, Dandan; Xue, Wei; Chen, Chen; Huang, Yu-Ching; Xie, Xiaodong; Wang, Xinyu; Yang, Mujin; Wang, Cuiping; Cao, Feng; Sui, Jiehe; Liu, Xingjun; Zhang, Qian

doi:10.34133/2020/4630948

Cited by 30 publications

(22 citation statements)

References 39 publications

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“…In general, the formula derived as such is to provide a systematic overview of the metavalent interactions between the X, Y, and Z atoms. There are papers that cover essential topics such as high band degeneracy (Fu et al, 2014), resonant doping (Chen et al, 2017), mass fluctuation (Chen et al, 2017) (Yan et al, 2013), substitution doping (Culp et al, 2008), phase separation (Kirievsky et al, 2013) (Li et al, 2020), nano inclusion , and synthesis methods for a broad range of HH compounds. An essential review paper for an overview of the abovementioned was recently published (Poon 2019).…”

Section: Introductionmentioning

confidence: 99%

A Systematic Approach for Semiconductor Half-Heusler

et al. 2021

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The key to designing a half-Heusler begins from the understanding of atomic interactions within the compound. However, this pool of knowledge in half-Heusler compounds is briefly segregated in many papers for specific explanations. The nature of the chemical bonding has been systematically explored for the large transition-metal branch of the half-Heusler family using density-of-states, charge-density, charge transfer, electron-localization-function, and crystal-orbital-Hamilton-population plots. This review aims to simplify the study of a conventional 18-electron configuration half-Heusler by applying rules proposed by renowned scientists to explain concepts such as Zintl-Klemm, hybridization, and valence electron content (VEC). Atomic and molecular orbital diagrams illustrate the electron orbital transitions and provide clarity to the semiconducting behavior (VEC = 18) of half-Heusler. Eighteen-electron half-Heusler usually exhibits good thermoelectric properties owing to favorable electronic structures such as narrow bandgap (<1.1 eV), thermal stability, and robust mechanical properties. The insights derived from this review can be used to design high-performance half-Heusler thermoelectrics.

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Section: Introductionmentioning

confidence: 99%

A Systematic Approach for Semiconductor Half-Heusler

et al. 2021

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“…This behavior is different from the Ni‐based compounds such as ZrNiSn where HH, IH, FH phases were observed simultaneously. [ 53 ] Indeed, unlike MNi 2 Sn (M = Hf, Zr, or Ti), there is no record of full‐Heusler MCo 2 Sb compounds, e.g., in the Inorganic Crystal Structure Database or the Crystallography Open Database.…”

Section: Resultsmentioning

confidence: 99%

High‐Pressure‐Sintering‐Induced Microstructural Engineering for an Ultimate Phonon Scattering of Thermoelectric Half‐Heusler Compounds

Zhu

Ying

et al. 2021

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Thermal management is of vital importance in various modern technologies such as portable electronics, photovoltaics, and thermoelectric devices. Impeding phonon transport remains one of the most challenging tasks for improving the thermoelectric performance of certain materials such as half‐Heusler compounds. Herein, a significant reduction of lattice thermal conductivity (κL) is achieved by applying a pressure of ≈1 GPa to sinter a broad range of half‐Heusler compounds. Contrasting with the common sintering pressure of less than 100 MPa, the gigapascal‐level pressure enables densification at a lower temperature, thus greatly modifying the structural characteristics for an intensified phonon scattering. A maximum κL reduction of ≈83% is realized for HfCoSb from 14 to 2.5 W m−1 K−1 at 300 K with more than 95% relative density. The realized low κL originates from a remarkable grain‐size refinement to below 100 nm together with the abundant in‐grain defects, as determined by microscopy investigations. This work uncovers the phonon transport properties of half‐Heusler compounds under unconventional microstructures, thus showing the potential of high‐pressure compaction in advancing the performance of thermoelectric materials.

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“…To achieve high thermoelectric performance, excellent electrical properties and low thermal conductivity are necessary. Up to now, band engineering [4,5], point defects engineering [6,7], nanoscale engineering [8,9], entropy engineering [10,11], phase diagram engineering [12,13], etc. have proved effective in optimizing thermoelectric properties.…”

Section: Introductionmentioning

confidence: 99%

Point defect approach to enhance the thermoelectric performance of Zintl-phase BaAgSb

et al. 2021

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Zintl-phase compounds have great potential in thermoelectric applications owing to their "phonon glasselectron crystal" (PGEC) structures. In this paper, a new Zintlphase thermoelectric material BaAgSb is reported. Ba deficiency increased the carrier concentration, and then suppressed the intrinsic excitation. The peak ZT value of Ba 0.98 AgSb reached~0.56 at 773 K. Moreover, Eu alloying at Ba site not only lowered the lattice thermal conductivity by inducing point-defect scattering, but also improved the electrical properties by increasing the carrier mobility. Finally, a peak ZT of~0.73 was achieved in Ba 0.78 Eu 0.2 AgSb.

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Phase Boundary Mapping in ZrNiSn Half-Heusler for Enhanced Thermoelectric Performance

Cited by 30 publications

References 39 publications

A Systematic Approach for Semiconductor Half-Heusler

A Systematic Approach for Semiconductor Half-Heusler

High‐Pressure‐Sintering‐Induced Microstructural Engineering for an Ultimate Phonon Scattering of Thermoelectric Half‐Heusler Compounds

Point defect approach to enhance the thermoelectric performance of Zintl-phase BaAgSb

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