Joint effect of magnesium and yttrium on enhancing thermoelectric properties of n-type Zintl Mg3+Y0.02Sb1.5Bi0.5

Song, Shaowei; Mao, Jun; Bordelon, Mitchell M.; He, Ran; Wang, Y.M.; Shuai, Jing; Sun, Jingying; Lei, Xiaobo; Ren, Zhifeng; Chen, S.; Wilson, Stephen D.; Nielsch, Kornelius; Zhang, Q.Y.; Ren, Zhifeng

doi:10.1016/j.mtphys.2018.12.004

Cited by 94 publications

(96 citation statements)

References 46 publications

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“…The Ce‐doped samples exhibit a peak ZT value ≈1.5 at 693 K, close to that of the La‐doped samples. Figure 6b shows that the peak ZT values of lanthanide (La or Ce)‐doped samples are quite comparable with those of the best reported Te, Se, Y, or Pr‐doped specimens within the measured temperature range,9,11,27 indicating that lanthanides (La or Ce) are promising substitutes available for cation‐site n‐type doping in Mg 3.2 Sb 1.5 Bi 0.5 . Further optimization is expected in order to obtain even higher peak ZT values, together with higher room‐temperature ZT values, in lanthanide‐doped Mg 3 Sb 2 ‐based materials.…”

Section: Resultssupporting

confidence: 62%

Enhanced Thermoelectric Performance in N‐Type Mg_3.2Sb_1.5Bi_0.5 by La or Ce Doping into Mg

Zhang

Chen

et al. 2020

Adv Elect Materials

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N‐type Mg3.2Sb1.5Bi0.5 materials are prepared by cation‐site doping with lanthanides (La, Ce). Both La‐ and Ce‐doped samples exhibit a higher doping limit and greater efficiency than those of chalcogen (Te, Se, S)‐doped n‐type Mg3.2Sb1.5Bi0.5 samples. High electron carrier concentration ≈9 × 1019 cm−3 is obtained in Mg3.18La0.02Sb1.5Bi0.5 and Mg3.185Ce0.015Sb1.5Bi0.5, which is close to the theoretical doping‐concentration limit and induces contributions from more electron bands. A higher electrical conductivity was thus obtained and is beneficial to the enhanced ZT values for lanthanide‐doped Mg3.2Sb1.5Bi0.5. The highest ZT value ≈1.6 is achieved in Mg3.19La0.01Sb1.5Bi0.5 at 693 K, along with a ZT ≈1.50 in Mg3.19Ce0.01Sb1.5Bi0.5 at 693 K, indicating that lanthanides provide a promising doping strategy for Mg3.2Sb1.5Bi0.5‐based materials.

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Section: Resultssupporting

confidence: 62%

Enhanced Thermoelectric Performance in N‐Type Mg_3.2Sb_1.5Bi_0.5 by La or Ce Doping into Mg

Zhang

Chen

et al. 2020

Adv Elect Materials

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“…Very few studies have reported on n‐type Mg 3 Sb 2 without alloying with Mg 3 Bi 2 , and the corresponding zT values are generally below unity. The group 3 elements including Sc, Y, and La have been suggested as effective n‐type cation dopants for Mg 3 Sb 2 in theoretical defect calculations by Gorai et al., in which these elements have already been confirmed by the experiments in n‐type Mg 3 Sb 2− x Bi x ( x= 0.5 and 1) . However, there is no systematic experimental study on Sc doping in Mg 3 Sb 2 without alloying with Mg 3 Bi 2 .…”

Section: Figurementioning

confidence: 99%

Rapid One‐Step Synthesis and Compaction of High‐Performance n‐Type Mg₃Sb₂ Thermoelectrics

2020

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n‐type Mg3Sb2‐based compounds have emerged as a promising class of low‐cost thermoelectric materials due to their extraordinary performance at low and intermediate temperatures. However, so far, high thermoelectric performance has merely been reported in n‐type Mg3Sb2‐Mg3Bi2 alloys with a large amount of Bi. Moreover, current synthesis methods of n‐type Mg3Sb2 bulk thermoelectrics involve multi‐step processes that are time‐ and energy‐consuming. Herein, we report a fast and straightforward approach to fabricate n‐type Mg3Sb2 thermoelectrics using spark plasma sintering, which combines the synthesis and compaction in one step. Using this method, we achieve a high thermoelectric figure of merit zT of about 0.4–1.5 at 300–725 K in n‐type (Sc, Te)‐co‐doped Mg3Sb2 without alloying with Mg3Bi2. In comparison with the currently reported synthesis methods, the complexity, process time, and cost of our method are significantly reduced. This work demonstrates a simple, low‐cost route for the potential large‐scale production of n‐type Mg3Sb2 thermoelectrics.

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“…1), [53][54][55] comparable or even superior to the commercial n-type TE materials, such as Bi 2 Te 3 and PbTe. Hence, significant research efforts [56][57][58][59][60][61][62][63][64][65][66][67][68][69][70][71][72][73] on this promising material system are currently ongoing. Theoretically, electronic structures, 20,74-77 chemical bonding, 11,12,78,79 defects, 55,60,61,80 and phonon-related properties [81][82][83][84] have been extensively studied to understand the transport properties.…”

Section: Introductionmentioning

confidence: 99%

Insights into the design of thermoelectric Mg3Sb2 and its analogs by combining theory and experiment

2019

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Over the past two decades, we have witnessed a strong interest in developing Mg 3 Sb 2 and related CaAl 2 Si 2 -type materials for lowand intermediate-temperature thermoelectric applications. In this review, we discuss how computations coupled with experiments provide insights for understanding chemical bonding, electronic transport, point defects, thermal transport, and transport anisotropy in these materials. Based on the underlying insights, we examine design strategies to guide the further optimization and development of thermoelectric Mg 3 Sb 2 -based materials and their analogs. We begin with a general introduction of the Zintl concept for understanding bonding and properties and then reveal the breakdown of this concept in AMg 2 X 2 with a nearly isotropic three-dimensional chemical bonding network. For electronic transport, we start from a simple yet powerful atomic orbital scheme of tuning orbital degeneracy for optimizing p-type electrical properties, then discuss the complex Fermi surface aided by high valley degeneracy, carrier pocket anisotropy, and light conductivity effective mass responsible for the exceptional n-type transport properties, and finally address the defect-controlled carrier density in relation to the electronegativity and bonding character. Regarding thermal transport, we discuss the insight into the origin of the intrinsically low lattice thermal conductivity in Mg 3 Sb 2 . Furthermore, the anisotropies in electronic and thermal transport properties are discussed in relation to crystal orbitals and chemical bonding. Finally, some specific challenges and perspectives on how to make further developments are presented.npj Computational Materials (2019) 5:76 ; https://doi.

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Joint effect of magnesium and yttrium on enhancing thermoelectric properties of n-type Zintl Mg3+Y0.02Sb1.5Bi0.5

Cited by 94 publications

References 46 publications

Enhanced Thermoelectric Performance in N‐Type Mg_3.2Sb_1.5Bi_0.5 by La or Ce Doping into Mg

Enhanced Thermoelectric Performance in N‐Type Mg_3.2Sb_1.5Bi_0.5 by La or Ce Doping into Mg

Rapid One‐Step Synthesis and Compaction of High‐Performance n‐Type Mg₃Sb₂ Thermoelectrics

Insights into the design of thermoelectric Mg3Sb2 and its analogs by combining theory and experiment

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Joint effect of magnesium and yttrium on enhancing thermoelectric properties of n-type Zintl Mg3+Y0.02Sb1.5Bi0.5

Cited by 94 publications

References 46 publications

Enhanced Thermoelectric Performance in N‐Type Mg3.2Sb1.5Bi0.5 by La or Ce Doping into Mg

Enhanced Thermoelectric Performance in N‐Type Mg3.2Sb1.5Bi0.5 by La or Ce Doping into Mg

Rapid One‐Step Synthesis and Compaction of High‐Performance n‐Type Mg3Sb2 Thermoelectrics

Insights into the design of thermoelectric Mg3Sb2 and its analogs by combining theory and experiment

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Product

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Enhanced Thermoelectric Performance in N‐Type Mg_3.2Sb_1.5Bi_0.5 by La or Ce Doping into Mg

Enhanced Thermoelectric Performance in N‐Type Mg_3.2Sb_1.5Bi_0.5 by La or Ce Doping into Mg

Rapid One‐Step Synthesis and Compaction of High‐Performance n‐Type Mg₃Sb₂ Thermoelectrics