Enhanced thermoelectric performance in p-type AgBiSe2 through carrier concentration optimization and valence band modification

IF 9.6 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Rare Metals Pub Date : 2024-09-19 DOI:10.1007/s12598-024-02986-1

Hao-Ming Liu, Xiu-Qun Wu, Jia-Yan Sun, Shan Li, Jun-Xiong Zhang, Xin-Li Ye, Qian Zhang

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Abstract

Realizing the high thermoelectric performance of p-type AgBiSe₂-based materials has been challenging due to their low p-type dopability. This work demonstrated that Cd doping at the Bi site converts n-type AgBiSe₂ to p-type. The hole concentration is effectively increased with increasing Cd doping content, thereby enhancing the electrical conductivity. Theoretical calculations reveal that Cd doping flattens the edge of the valence band, resulting in an increase in the density-of-states effective mass and Seebeck coefficient. A record-high power factor of ~ 6.2 µW⋅cm⁻¹⋅K⁻² was achieved at room temperature. Furthermore, the induced dislocations enhance the phonon scattering, contributing to the ultralow lattice thermal conductivity across the entire temperature range. As a result, a decent figure of merit (zT) of ~ 0.3 at room temperature and a peak zT of ~ 0.5 at 443 K were obtained in AgBi_0.92Cd_0.08Se₂. Our work provides a feasible method for optimizing the thermoelectric performance of p-type AgBiSe₂.

Graphical Abstract

Abstract Image

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通过载流子浓度优化和价带修饰提高 p 型 AgBiSe2 的热电性能

由于 AgBiSe2 的 p 型掺杂性较低，因此实现 p 型 AgBiSe2 材料的高热电性能一直是一项挑战。这项工作证明，在铋位点掺杂镉可将 n 型 AgBiSe2 转变为 p 型。随着镉掺杂量的增加，空穴浓度也有效提高，从而增强了导电性。理论计算显示，掺杂镉会使价带边缘变平，导致态密度有效质量和塞贝克系数增加。在室温下，功率因数达到了创纪录的 6.2 µW⋅cm-1⋅K-2 。此外，诱导位错增强了声子散射，从而在整个温度范围内实现了超低的晶格热导率。因此，AgBi0.92Cd0.08Se2 在室温下的优点系数 (zT) 约为 0.3，在 443 K 时的峰值 zT 约为 0.5。我们的工作为优化 p 型 AgBiSe2 的热电性能提供了一种可行的方法。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Rare Metals 工程技术-材料科学：综合

CiteScore

12.10

自引率

12.50%

发文量

2919

审稿时长

2.7 months

期刊介绍： Rare Metals is a monthly peer-reviewed journal published by the Nonferrous Metals Society of China. It serves as a platform for engineers and scientists to communicate and disseminate original research articles in the field of rare metals. The journal focuses on a wide range of topics including metallurgy, processing, and determination of rare metals. Additionally, it showcases the application of rare metals in advanced materials such as superconductors, semiconductors, composites, and ceramics.