Crystal symmetry modification enables high-ranged in-plane thermoelectric performance in n-type SnSe crystals

Haonan Shi, Yi Wen, Shulin Bai, Cheng Chang, Lizhong Su, Tian Gao, Shibo Liu, Dongrui Liu, Bingchao Qin, Yongxin Qin, Huiqiang Liang, Xin Qian, Zhenghao Hou, Xiang Gao, Tianhang Zhou (), Qing Tan () and Li-Dong Zhao ()
Additional contact information
Haonan Shi: Beihang University
Yi Wen: Beihang University
Shulin Bai: Beihang University
Cheng Chang: Beihang University
Lizhong Su: Taiyuan University of Science and Technology
Tian Gao: Beihang University
Shibo Liu: Beihang University
Dongrui Liu: Beihang University
Bingchao Qin: Beihang University
Yongxin Qin: Beihang University
Huiqiang Liang: Hebei University
Xin Qian: Hebei University
Zhenghao Hou: Shijiazhuang University
Xiang Gao: Center for High-Pressure Science and Technology Advanced Research (HPSTAR)
Tianhang Zhou: China University of Petroleum (Beijing)
Qing Tan: Beihang University
Li-Dong Zhao: Beihang University

Nature Communications, 2025, vol. 16, issue 1, 1-11

Abstract: Abstract SnSe crystal has witnessed significant advancements as a promising thermoelectric material over the past decade. Its in-plane direction shows robust mechanical strength for practical thermoelectric applications. Herein, we optimize the in-plane thermoelectric performance of n-type SnSe by crystal symmetry modification. In particular, we find that Te and Mo alloying continuously enhances the crystal symmetry, thereby increasing the carrier mobility to ~ 422 cm2 V−1 s−1. Simultaneously, the conduction bands converge with the symmetry modification, further improving the electrical transport. Additionally, the lattice thermal conductivity is limited to ~ 1.1 W m−1 K−1 due to the softness of both acoustic and optical branches. Consequently, we achieve a power factor of ~ 28 μW cm−1 K−2 and ZT of ~ 0.6 in n-type SnSe at 300 K. The average ZT reaches ~ 0.89 at 300−723 K. The single-leg device based on the obtained n-type SnSe shows a remarkable efficiency of ~ 5.3% under the ΔT of ~ 300 K, which is the highest reported in n-type SnSe. This work demonstrates the substantial potential of SnSe for practical applications of power generation and waste heat recovery.

Date: 2025
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DOI: 10.1038/s41467-025-57125-w

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