High performance of Mg3Bi1.5Sb0.5 based materials for power generation: Revealing the counter-intuitive effect of tuning Bi content on the thermoelectric properties

Recently, Mg3Sb2-xBix alloys have attracted intensive attention, with the aim of maximizing the electrical transport performance via donor element doping, increasing the grain size, as well as electronic band structure engineering. However, less attention has been paid to other significant factors,...

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Main Authors: Nuo Qu, Yuke Zhu, Jianbo Zhu, Kuai Yu, Fengkai Guo, Zihang Liu, Qian Zhang, Wei Cai, Jiehe Sui
Format: Article
Language:English
Published: KeAi Communications Co., Ltd. 2024-11-01
Series:Journal of Magnesium and Alloys
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Online Access:http://www.sciencedirect.com/science/article/pii/S2213956723000403
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author Nuo Qu
Yuke Zhu
Jianbo Zhu
Kuai Yu
Fengkai Guo
Zihang Liu
Qian Zhang
Wei Cai
Jiehe Sui
author_facet Nuo Qu
Yuke Zhu
Jianbo Zhu
Kuai Yu
Fengkai Guo
Zihang Liu
Qian Zhang
Wei Cai
Jiehe Sui
author_sort Nuo Qu
collection DOAJ
description Recently, Mg3Sb2-xBix alloys have attracted intensive attention, with the aim of maximizing the electrical transport performance via donor element doping, increasing the grain size, as well as electronic band structure engineering. However, less attention has been paid to other significant factors, like how these intrinsic point defects and accompanied secondary phases influence thermoelectric properties. In this study, the microstructure and thermoelectric transport properties of Mg3.2Sb0.5Bi1.495-xTe0.005 (x = 0 ∼ 0.2) compounds were systematically investigated, where tuning the Bi content shows the counter-intuitive impact on the thermoelectric properties. It was found that the Bi-poor environment associated with Bi impurities facilitated the increment of cation vacancy formation energy and then increased the carrier concentration, leading to the enhancement of power factor. Simultaneously, the reduction of Bi-rich second phase content weakened the carrier scattering by grain boundaries whereas high carrier mobility was maintained. Moreover, the bipolar thermal conductivity decreased obviously due to the increased majority carrier concentration to suppress the intrinsic excitation. The synergistic optimization pushes the average ZT value (300–573 K) up to 0.95 in the Mg3.2Sb0.5Bi1.295Te0.005 sample. Moreover, the calculated single-leg conversion efficiency is increased up to 9.7% with the hot-side temperature of 573 K, as the record-high value in this system.
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publishDate 2024-11-01
publisher KeAi Communications Co., Ltd.
record_format Article
series Journal of Magnesium and Alloys
spelling doaj-art-d86af59d855a48e7a98f672913a698e52025-01-05T04:28:00ZengKeAi Communications Co., Ltd.Journal of Magnesium and Alloys2213-95672024-11-01121145384546High performance of Mg3Bi1.5Sb0.5 based materials for power generation: Revealing the counter-intuitive effect of tuning Bi content on the thermoelectric propertiesNuo Qu0Yuke Zhu1Jianbo Zhu2Kuai Yu3Fengkai Guo4Zihang Liu5Qian Zhang6Wei Cai7Jiehe Sui8State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001, ChinaState Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001, ChinaState Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001, ChinaSchool of Materials Science and Engineering, Harbin Institute of Technology, Harbin, 150001, ChinaState Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001, ChinaState Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001, China; Corresponding authors.Department of Materials Science and Engineering, Harbin Institute of Technology, Shenzhen 518055, ChinaState Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001, ChinaState Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001, China; Corresponding authors.Recently, Mg3Sb2-xBix alloys have attracted intensive attention, with the aim of maximizing the electrical transport performance via donor element doping, increasing the grain size, as well as electronic band structure engineering. However, less attention has been paid to other significant factors, like how these intrinsic point defects and accompanied secondary phases influence thermoelectric properties. In this study, the microstructure and thermoelectric transport properties of Mg3.2Sb0.5Bi1.495-xTe0.005 (x = 0 ∼ 0.2) compounds were systematically investigated, where tuning the Bi content shows the counter-intuitive impact on the thermoelectric properties. It was found that the Bi-poor environment associated with Bi impurities facilitated the increment of cation vacancy formation energy and then increased the carrier concentration, leading to the enhancement of power factor. Simultaneously, the reduction of Bi-rich second phase content weakened the carrier scattering by grain boundaries whereas high carrier mobility was maintained. Moreover, the bipolar thermal conductivity decreased obviously due to the increased majority carrier concentration to suppress the intrinsic excitation. The synergistic optimization pushes the average ZT value (300–573 K) up to 0.95 in the Mg3.2Sb0.5Bi1.295Te0.005 sample. Moreover, the calculated single-leg conversion efficiency is increased up to 9.7% with the hot-side temperature of 573 K, as the record-high value in this system.http://www.sciencedirect.com/science/article/pii/S2213956723000403Mg3Sb2-xBix alloysNanoscale Bi-rich phaseBipolar thermal conductivityThermoelectric performance
spellingShingle Nuo Qu
Yuke Zhu
Jianbo Zhu
Kuai Yu
Fengkai Guo
Zihang Liu
Qian Zhang
Wei Cai
Jiehe Sui
High performance of Mg3Bi1.5Sb0.5 based materials for power generation: Revealing the counter-intuitive effect of tuning Bi content on the thermoelectric properties
Journal of Magnesium and Alloys
Mg3Sb2-xBix alloys
Nanoscale Bi-rich phase
Bipolar thermal conductivity
Thermoelectric performance
title High performance of Mg3Bi1.5Sb0.5 based materials for power generation: Revealing the counter-intuitive effect of tuning Bi content on the thermoelectric properties
title_full High performance of Mg3Bi1.5Sb0.5 based materials for power generation: Revealing the counter-intuitive effect of tuning Bi content on the thermoelectric properties
title_fullStr High performance of Mg3Bi1.5Sb0.5 based materials for power generation: Revealing the counter-intuitive effect of tuning Bi content on the thermoelectric properties
title_full_unstemmed High performance of Mg3Bi1.5Sb0.5 based materials for power generation: Revealing the counter-intuitive effect of tuning Bi content on the thermoelectric properties
title_short High performance of Mg3Bi1.5Sb0.5 based materials for power generation: Revealing the counter-intuitive effect of tuning Bi content on the thermoelectric properties
title_sort high performance of mg3bi1 5sb0 5 based materials for power generation revealing the counter intuitive effect of tuning bi content on the thermoelectric properties
topic Mg3Sb2-xBix alloys
Nanoscale Bi-rich phase
Bipolar thermal conductivity
Thermoelectric performance
url http://www.sciencedirect.com/science/article/pii/S2213956723000403
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