Pavonite Homologous CdAg2.5Sb6.5Se12 as a Promising Thermoelectric Compound

IF 5.4 3区材料科学 Q2 CHEMISTRY, PHYSICAL

ACS Applied Energy Materials Pub Date : 2025-02-26 DOI:10.1021/acsaem.5c0001710.1021/acsaem.5c00017

Bowen Jin, Chenghao Xie, Yicheng Wang, Rongcheng Li, Chengyun Liao, Zhengjie Liu, Xinfeng Tang and Gangjian Tan*,

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Abstract

Pavonite compounds with complex and disordered structures are promising thermoelectric materials due to their extremely low lattice thermal conductivity. Herein, we report the pavonite compound CdAg_2.5Sb_6.5Se₁₂ with an extremely low lattice thermal conductivity of 0.36 W m^–1 K^–1 at 773 K. Because of the poor electrical properties, we adjust the ratio of Ag and Cd to populate a large quantity of carriers, thus increasing the carrier concentration. Based on the single parabolic band model, the density of state effective mass increases from 0.3 m_e in the pristine sample to 1.3 m_e in the doped one (m_e is the electron mass) because of the increase in the valence band degeneracy. Ultimately, the extremely low thermal conductivity combined with the enhanced electrical performance results in enhanced ZT ∼ 0.35 at 672 K compared with the pristine sample of ∼0.02.

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由于具有极低的晶格热导率，具有复杂无序结构的帕旺石化合物是一种很有前途的热电材料。由于电学特性较差，我们调整了银和镉的比例以填充大量载流子，从而提高了载流子浓度。根据单抛物线能带模型，由于价带变性的增加，状态密度有效质量从原始样品的 0.3 me 增加到掺杂样品的 1.3 me（me 为电子质量）。最终，极低的热导率与增强的电性能相结合，使 672 K 时的 ZT ∼ 0.35，而原始样品的 ZT ∼ 0.02。

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来源期刊

ACS Applied Energy Materials Materials Science-Materials Chemistry

CiteScore

10.30

自引率

6.20%

发文量

1368

期刊介绍： ACS Applied Energy Materials is an interdisciplinary journal publishing original research covering all aspects of materials, engineering, chemistry, physics and biology relevant to energy conversion and storage. The journal is devoted to reports of new and original experimental and theoretical research of an applied nature that integrate knowledge in the areas of materials, engineering, physics, bioscience, and chemistry into important energy applications.