Divacancy and resonance level enables high thermoelectric performance in n-type SnSe polycrystals

Yaru Gong, Winston Dou, Bochen Lu, Xuemei Zhang, He Zhu, Pan Ying, Qingtang Zhang, Yuqi Liu, Yanan Li, Xinqi Huang, Muhammad Faisal Iqbal, Shihua Zhang, Di Li, Yongsheng Zhang (), Haijun Wu () and Guodong Tang ()
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Yaru Gong: Nanjing University of Science and Technology
Bochen Lu: Xi’an Jiaotong University
Xuemei Zhang: Ningxia Normal University
He Zhu: Nanjing University of Science and Technology
Pan Ying: Nanjing University of Science and Technology
Qingtang Zhang: Nanjing University of Science and Technology
Yuqi Liu: Nanjing University of Science and Technology
Yanan Li: Nanjing University of Science and Technology
Xinqi Huang: Nanjing University of Science and Technology
Muhammad Faisal Iqbal: Nanjing University of Science and Technology
Shihua Zhang: Nanjing University of Science and Technology
Di Li: Chinese Academy of Sciences
Yongsheng Zhang: Qufu Normal University
Haijun Wu: Xi’an Jiaotong University
Guodong Tang: Nanjing University of Science and Technology

Nature Communications, 2024, vol. 15, issue 1, 1-13

Abstract: Abstract N-type polycrystalline SnSe is considered as a highly promising candidates for thermoelectric applications due to facile processing, machinability, and scalability. However, existing efforts do not enable a peak ZT value exceeding 2.0 in n-type polycrystalline SnSe. Here, we realized a significant ZT enhancement by leveraging the synergistic effects of divacancy defect and introducing resonance level into the conduction band. The resonance level and increased density of states resulting from tungsten boost the Seebeck coefficient. The combination of the enhanced electrical conductivity (achieved by increasing carrier concentration through WCl6 doping and Se vacancies) and large Seebeck coefficient lead to a high power factor. Microstructural analyses reveal that the co-existence of divacancy defects (Se vacancies and Sn vacancies) and endotaxial W- and Cl-rich nanoprecipitates scatter phonons effectively, resulting in ultralow lattice conductivity. Ultimately, a record-high peak ZT of 2.2 at 773 K is achieved in n-type SnSe0.92 + 0.03WCl6.

Date: 2024
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DOI: 10.1038/s41467-024-48635-0

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