1. Enhancing thermoelectric efficiency of Ca9Zn4+xSb9 by interstitial atom modulations through phonon-electron decoupling.
- Author
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Wu, Zhen, Wang, Xiaohan, Fan, Heliang, Zhao, Bin, Tao, Xueyu, Liu, Guoliang, and Guo, Litong
- Subjects
THERMOELECTRIC materials ,FERMI level ,VALENCE bands ,DOPING agents (Chemistry) ,OCCUPANCY rates - Abstract
Thermoelectric materials (TE) have shown significant potential for power generation and localized refrigeration due to their ability to convert heat into electricity. Ca
9 Zn4+x Sb9 is a promising TE material with low lattice thermal conductivity attributed to its complex structure and interstitial atom vacancies. However, understanding the impact of Zn vacancies in interstitial position on thermoelectric efficiencies remains a challenge. In this study, we conducted a systematic investigation of the thermoelectric properties of Ag-doped Ca9 Zn4.5−x Agx Sb9 (x = 0.05, 0.1, 0.15, 0.2) for the first time. Our findings reveal that increasing the occupancy rate of interstitial atoms significantly enhances electronic transport properties, thereby improving conductivity. It verifies that Ag doping pushes the Fermi level toward the valence band, indicating the metal behavior with the increase doping ratio. Through manipulation of phonon-electron decoupling, we achieved a peak zT value of ~ 0.63 at 873 K for Ca9 Zn4.45 Ag0.05 Sb9 , which is close to twice of undoped Ca9 Zn4.5 Sb9 with a maximum zT of about 0.37. These results not only experimentally demonstrate the promising efficiency of Ca9 Zn4.45 Ag0.05 Sb9 but also offer a general and alternative strategy for tuning the thermoelectric properties of Zntil-phase materials through vacancy engineering. [ABSTRACT FROM AUTHOR]- Published
- 2025
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