Enhanced Thermoelectric Properties in Zinc Antimonides

Bjerg, Lasse; Madsen, Georg K. H.; Iversen, Bo B.

doi:10.1021/cm201271d

Cited by 88 publications

(69 citation statements)

References 32 publications

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“…The band structure of ZnSb has been calculated by ab-initio methods by many groups in recent years [2,26,31,[36][37][38][39][40][41][42]. The calculations are based upon density functional theory (DFT), but with varying detailed approximations and trade-offs between computational cost and accuracy.…”

Section: Band Calculationsmentioning

confidence: 99%

“…n-Type ZnSb is desired because (i) thermoelectric modules are preferably built of parallel legs of n-type and p-type materials, and it is preferable to use the same material (ZnSb) for minimizing the thermal stress; (ii) theoretically, n-type ZnSb is believed to be a much better thermoelectric material than p-type [36,40,42]. However, no real successful stable n-type doping has been achieved.…”

Section: Donorsmentioning

confidence: 99%

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Review of Research on the Thermoelectric Material ZnSb

Song¹,

Finstad²

2016

Thermoelectrics for Power Generation - A Look at Trends in the Technology

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The thermoelectric material ZnSb has been studied intensively in recent years and has shown promising features. The other zinc-antimonide compound, Zn 4 Sb 3 has remarkable low thermal conductivity, but it is accompanied with phase transitions at moderate temperature and has inherent stability problems. Compared to that, ZnSb is relatively phase stable and has a relative high charge carrier mobility and Seebeck coefficient, thus yielding a decent power factor. Meanwhile, its thermal conductivity can be reduced by means of nanostructuring, thus giving a good figure of merit at moderate temperatures, 400-600K. Many researchers have dedicated their efforts to study and improve ZnSb properties, and the figure of merit has been reported to be above one. Still, ZnSb as a thermoelectric material has features and behaviours that are not well-understood. The behaviour and properties of its intrinsic defects are not understood, but have interested researchers in recent years. This chapter intends to offer a comprehensive review on ZnSb to the readers. By combining own experiences from research on thermoelectric materials, the authors address the prospect for improving the thermoelectric properties of ZnSb and the concerns of transferring lab results to manufacturing.

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Section: Band Calculationsmentioning

confidence: 99%

Section: Donorsmentioning

confidence: 99%

Review of Research on the Thermoelectric Material ZnSb

Song¹,

Finstad²

2016

Thermoelectrics for Power Generation - A Look at Trends in the Technology

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“…This approach has evolved as a standard tool for the prediction and identification of qualitative trends in a wide variety of materials, 48,49 including the prediction of oxidic systems, 50,51 and has been applied successfully to several delafossites in the past. 52,53 Concerning PdCoO 2 and PtCoO 2 , particular emphasis was laid on the explanation of the large anisotropy in conductivity and thermopower (Seebeck coefficient), 16,17,44 but also on the description of the large out-of-plane magnetoresistance encountered in PdCoO 2 under the rotation of a large in-plane magnetic field.…”

Section: Electronic Conductivity Under Epitaxial Strainmentioning

confidence: 99%

Impact of strain-induced electronic topological transition on the thermoelectric properties ofPtCoO2andPdCoO2

Gruner

Eckern

2015

Phys. Rev. B

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By a combination of first-principles calculations and semi-classical Boltzmann transport theory, we investigate the effect of epitaxial strain on the electronic structure and transport properties of PtCoO2 and PdCoO2. In contrast to the rather uniform elastic response of both systems, we predict for PtCoO2 a high sensitivity of the out-of-plane transport properties to strain, which is not present in PdCoO2. At ambient temperature, we identify a considerable absolute change in the thermopower from −107 µV/K at −5 % compressive strain to −303 µV/K at +5 % tensile strain. This remarkable response is related to distinct changes of the Fermi surface, which involve the crossing of two additional bands at a moderate compressive in-plane strain. Combining our transport results with available experimental data on electrical and lattice thermal conductivity we predict a thermoelectric figure of merit of up to ZT = 0.25 at T = 600 K for strained PtCoO2.

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“…15,16 In addition, these materials contain elements that are more biocompatible or more readily available than other state-of-the-art materials containing heavily regulated (Pb) or less abundant (Te) elements. 17 However, with many possible compositions and structures, it is often challenging to predictably synthesize a target compound in a phase pure manner. A majority of crystalline phases are synthesized under thermodynamic control through high-temperature solidstate reactions.…”

Section: Introductionmentioning

confidence: 99%

Expanding the I–II–V Phase Space: Soft Synthesis of Polytypic Ternary and Binary Zinc Antimonides

et al. 2018

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Soft chemistry methods offer the possibility of synthesizing metastable and kinetic products that are unobtainable through thermodynamically-controlled, high-temperature reactions. A recent solution-phase exploration of Li-Zn-Sb phase space revealed a previously unknown cubic half-Heusler MgAgAs-type LiZnSb polytype. Interestingly, this new cubic phase was calculated to be the most thermodynamically stable, despite prior literature reporting only two other ternary phases (the hexagonal half-Heusler LiGaGe-type LiZnSb, and the full-Heusler Li2ZnSb). This surprising discovery, coupled with the intriguing optoelectronic and transport properties of many antimony containing Zintl phases, required a thorough exploration of syn-thetic parameters. Here, we systematically study the effects that different precursor concentrations, injection order, nucleation and growth temperatures, and reaction time have on the solution-phase synthesis of these materials. By doing so, we identify conditions that selectively yield several unique ternary (c-LiZnSb vs. h*-LiZnSb), binary (ZnSb vs. Zn8Sb7), and metallic (Zn, Sb) products. Further, we find one of the ternary phases adopts a variant of the previously observed hexagonal LiZnSb struc-ture. Our results demonstrate the utility of low temperature solution phase-soft synthesis-methods in accessing and mining a rich phase space. We anticipate that this work will motivate further exploration of multinary I-II-V compounds, as well as encourage similarly thorough investigations of related Zintl systems by solution phase methods. Disciplines Materials ChemistryComments "This document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in Chemistry of Materials, copyright © American Chemical Society after peer review. To access the final edited and published work see http://dx.doi.org/10.1021/acs.chemmater.8b02910. ABSTRACT: Soft chemistry methods offer the possibility of synthesizing metastable and kinetic products that are unobtainable through thermodynamically-controlled, high-temperature reactions. A recent solution-phase exploration of Li-Zn-Sb phase space revealed a previously unknown cubic half-Heusler MgAgAs-type LiZnSb polytype. Interestingly, this new cubic phase was calculated to be the most thermodynamically stable, despite prior literature reporting only two other ternary phases (the hexagonal half-Heusler LiGaGe-type LiZnSb, and the full-Heusler Li2ZnSb). This surprising discovery, coupled with the intriguing optoelectronic and transport properties of many antimony containing Zintl phases, required a thorough exploration of synthetic parameters. Here, we systematically study the effects that different precursor concentrations, injection order, nucleation and growth temperatures, and reaction time have on the solution-phase synthesis of these materials. By doing so, we identify conditions that selectively yield several unique ternary (c-LiZnSb vs. h*-LiZnSb), binary (ZnSb vs. Zn8Sb7), and metallic (Zn, Sb) products. Furt...

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Enhanced Thermoelectric Properties in Zinc Antimonides

Cited by 88 publications

References 32 publications

Review of Research on the Thermoelectric Material ZnSb

Review of Research on the Thermoelectric Material ZnSb

Impact of strain-induced electronic topological transition on the thermoelectric properties ofPtCoO2andPdCoO2

Expanding the I–II–V Phase Space: Soft Synthesis of Polytypic Ternary and Binary Zinc Antimonides

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