Electron delocalization enhances the thermoelectric performance of misfit layer compound (Sn1-xBixS)1.2(TiS2)2

doi:10.1088/1674-1056/ac6493

中国物理B ›› 2022, Vol. 31 ›› Issue (11): 117202-117202.doi: 10.1088/1674-1056/ac6493

所属专题： TOPICAL REVIEW — Progress in thermoelectric materials and devices

Electron delocalization enhances the thermoelectric performance of misfit layer compound (Sn_1-xBi_xS)_1.2(TiS₂)₂

Xin Zhao(赵昕)^1,†, Xuanwei Zhao(赵轩为)^1,†, Liwei Lin(林黎蔚)^1,‡, Ding Ren(任丁)¹, Bo Liu(刘波)¹, and Ran Ang(昂然)^1,2,§

1 Key Laboratory of Radiation Physics and Technology, Ministry of Education, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, China;
2 Institute of New Energy and Low-Carbon Technology, Sichuan University, Chengdu 610065, China

收稿日期:2022-03-17 修回日期:2022-04-01 接受日期:2022-04-06 出版日期:2022-10-17 发布日期:2022-10-17
通讯作者: Liwei Lin, Ran Ang E-mail:linliwei@scu.edu.cn;rang@scu.edu.cn
基金资助:
This work was financially supported by the National Key Research and Development Program of China (Grant No. 2018YFA0702100), the Joint Funds of the National Natural Science Foundation of China and the Chinese Academy of Sciences’ Large-Scale Scientific Facility (Grant No. U1932106), and the Sichuan University Innovation Research Program of China (Grant No. 2020SCUNL112).

Electron delocalization enhances the thermoelectric performance of misfit layer compound (Sn_1-xBi_xS)_1.2(TiS₂)₂

Xin Zhao(赵昕)^1,†, Xuanwei Zhao(赵轩为)^1,†, Liwei Lin(林黎蔚)^1,‡, Ding Ren(任丁)¹, Bo Liu(刘波)¹, and Ran Ang(昂然)^1,2,§

1 Key Laboratory of Radiation Physics and Technology, Ministry of Education, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, China;
2 Institute of New Energy and Low-Carbon Technology, Sichuan University, Chengdu 610065, China

Received:2022-03-17 Revised:2022-04-01 Accepted:2022-04-06 Online:2022-10-17 Published:2022-10-17
Contact: Liwei Lin, Ran Ang E-mail:linliwei@scu.edu.cn;rang@scu.edu.cn
Supported by:
This work was financially supported by the National Key Research and Development Program of China (Grant No. 2018YFA0702100), the Joint Funds of the National Natural Science Foundation of China and the Chinese Academy of Sciences’ Large-Scale Scientific Facility (Grant No. U1932106), and the Sichuan University Innovation Research Program of China (Grant No. 2020SCUNL112).

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摘要/Abstract

摘要： The misfit layer compound (SnS)_1.2(TiS₂)₂ is a promising low-cost thermoelectric material because of its low thermal conductivity derived from the superlattice-like structure. However, the strong covalent bonds within each constituent layer highly localize the electrons thereby it is highly challenging to optimize the power factor by doping or alloying. Here, we show that Bi doping at the Sn site markedly breaks the covalent bonds networks and highly delocalizes the electrons. This results in a high charge carrier concentration and enhanced power factor throughout the whole temperature range. It is highly remarkable that Bi doping also significantly reduces the thermal conductivity by suppressing the heat conduction carried by phonons, indicating that it independently modulates phonon and charge transport properties. These effects collectively give rise to a maximum ZT of 0.3 at 720 K. In addition, we apply the single Kane band model and the Debye-Callaway model to clarify the electron and phonon transport mechanisms in the misfit layer compound (SnS)_1.2(TiS₂)₂.

关键词: misfit layer sulfide, electron delocalization, carrier mobility, chemical bond

Abstract: The misfit layer compound (SnS)_1.2(TiS₂)₂ is a promising low-cost thermoelectric material because of its low thermal conductivity derived from the superlattice-like structure. However, the strong covalent bonds within each constituent layer highly localize the electrons thereby it is highly challenging to optimize the power factor by doping or alloying. Here, we show that Bi doping at the Sn site markedly breaks the covalent bonds networks and highly delocalizes the electrons. This results in a high charge carrier concentration and enhanced power factor throughout the whole temperature range. It is highly remarkable that Bi doping also significantly reduces the thermal conductivity by suppressing the heat conduction carried by phonons, indicating that it independently modulates phonon and charge transport properties. These effects collectively give rise to a maximum ZT of 0.3 at 720 K. In addition, we apply the single Kane band model and the Debye-Callaway model to clarify the electron and phonon transport mechanisms in the misfit layer compound (SnS)_1.2(TiS₂)₂.

Key words: misfit layer sulfide, electron delocalization, carrier mobility, chemical bond

中图分类号: (Thermoelectric and thermomagnetic effects)

72.15.Jf

73.61.Ga (II-VI semiconductors) 73.90.+f (Other topics in electronic structure and electrical properties of surfaces, interfaces, thin films, and low-dimensional structures) 74.25.F- (Transport properties)

Xin Zhao(赵昕), Xuanwei Zhao(赵轩为), Liwei Lin(林黎蔚), Ding Ren(任丁), Bo Liu(刘波), and Ran Ang(昂然). Electron delocalization enhances the thermoelectric performance of misfit layer compound (Sn_1-xBi_xS)_1.2(TiS₂)₂[J]. 中国物理B, 2022, 31(11): 117202-117202.

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Electron delocalization enhances the thermoelectric performance of misfit layer compound (Sn_1-xBi_xS)_1.2(TiS₂)₂

Electron delocalization enhances the thermoelectric performance of misfit layer compound (Sn_1-xBi_xS)_1.2(TiS₂)₂

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