P掺杂β-FeSi2材料的制备与热电输运性能

doi:10.15541/jim20240012

无机材料学报

P掺杂β-FeSi₂材料的制备与热电输运性能

程俊^1,2, 张家伟^1,2, 仇鹏飞^1,2,3, 陈立东^1,2, 史迅^1,2

1.中国科学院上海硅酸盐研究所,高性能陶瓷和超微结构国家重点实验室,上海 200050;
2.中国科学院大学材料科学与光电技术学院,北京 100049;
3.中国科学院大学杭州高等研究院, 化学与材料科学学院,杭州 310024

收稿日期:2024-01-08 修回日期:2024-03-04 出版日期:2024-03-22 网络出版日期:2024-03-22
作者简介:程俊(1997-), 男, 博士研究生. E-mail: chengjun@student.sic.ac.cn.
基金资助:
国家自然科学基金(52122213); 国家重点研发计划 (2023YFB3809400)

Preparation and Thermoelectric Transport Properties of P-doped β-FeSi₂

CHENG Jun^1,2, ZHANG Jiawei^1,2, QIU Pengfei^1,2,3, CHEN Lidong^1,2, SHI Xun^1,2

1. State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China;
2. College of Materials Science and Opto-Electronic Technology, University of Chinese Academy of Sciences, Beijing 100049, China;
3. School of Chemistry and Materials Science, Hangzhou Institute for Advanced Study, University of Chinese Academy of Sciences, Hangzhou 310024, China

Received:2024-01-08 Revised:2024-03-04 Published:2024-03-22 Online:2024-03-22
About author:CHENG Jun (1997-), male, PhD candidate. E-mail: chengjun@student.sic.ac.cn
Supported by:
National Natural Science Foundation of China (52122213); National Key R&D Program of China (2023YFB3809400)

摘要/Abstract

摘要： β-FeSi₂作为一种绿色环保、高温抗氧化的热电材料,在工业废热回收领域具有潜在的应用价值。虽然磷(P)是一种理想的β-FeSi₂硅(Si)位的n型掺杂元素,但是先前的研究结果表明P掺杂β-FeSi₂易出现第二相,从而限制了热电性能的提升。本研究采用感应熔炼法合成了一系列FeSi_2-_xP_x(x=0, 0.02, 0.04, 0.06)样品,极大程度地避免了第二相的产生,并系统研究了P掺杂对β-FeSi₂电热输运性能的影响。结果表明,P在β-FeSi₂中的掺杂极限约为0.04,与前期的理论缺陷计算结果相符。此外,P掺杂优化了β-FeSi₂的热电性能,在850 K时,最高热电优值ZT约为0.12,远高于之前的研究结果(673 K,最高ZT仅为0.03)。然而,与同为n型Co和Ir掺杂的β-FeSi₂相比(其载流子浓度可达10²²cm^-3),P掺杂β-FeSi₂的载流子浓度较低,最高仅为10²⁰cm^-3。这导致其电声散射效应较弱,从而限制了整体热电性能的提升。若能提高其载流子浓度,则热电性能有望得到进一步提升。

关键词: β-FeSi₂, 热电材料, P掺杂, 感应熔炼, 载流子浓度, 电声散射

Abstract: β-FeSi₂, an environmentally friendly, high temperature oxidation-resistant thermoelectric material, has potential applications in the field of industrial waste heat recovery. Previous studies have shown that phosphorus (P), an ideal n-type dopant in the silicon (Si) site of β-FeSi₂, can easily lead to the formation of a secondary phase, thereby limiting the enhancement of thermoelectric performance. In this study, a series of FeSi_2-_xP_x (x=0, 0.02, 0.04, 0.06) samples were synthesized using an induction melting method, which greatly inhibited the formation of the secondary phase. In addition, the influence of P doping on the electrical and thermal transport properties of β-FeSi₂was studied. The results indicate that the solubility limit of P in β-FeSi₂ is about 0.04, consistent with earlier theoretical predictions based on the defect formation energy. It is also discovered that P doping enhanced the thermoelectric performance of β-FeSi₂, culminating in an optimal figure of merit (ZT) of approximately 0.12 at 850 K, which is much higher than the previous results (ZT= 0.03 at 673 K). However, compared to β-FeSi₂ doped with other n-type elements like cobalt (Co) and iridium (Ir), which can achieve carrier concentrations up to 10²²cm^-3, P-doped β-FeSi₂ exhibits lower carrier concentrations, with the highest of only 10²⁰cm^-3. This results in a weaker electron-phonon scattering effect, which in turn constrains the overall enhancement of the thermoelectric performance. If the carrier concentration could be further increased, the thermoelectric performance of the material is expected to evolve significantly.

Key words: β-FeSi₂, thermoelectric material, P doping, induction melting, carrier concentration, electron-phonon scattering

中图分类号:

TB34

程俊, 张家伟, 仇鹏飞, 陈立东, 史迅. P掺杂β-FeSi₂材料的制备与热电输运性能[J]. 无机材料学报, DOI: 10.15541/jim20240012.

CHENG Jun, ZHANG Jiawei, QIU Pengfei, CHEN Lidong, SHI Xun. Preparation and Thermoelectric Transport Properties of P-doped β-FeSi₂[J]. Journal of Inorganic Materials, DOI: 10.15541/jim20240012.

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P掺杂β-FeSi₂材料的制备与热电输运性能

Preparation and Thermoelectric Transport Properties of P-doped β-FeSi₂

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