Synergistic optimization of thermoelectric performance in SnSe<sub>2</sub> through Co-doping: anionic vacancy formation and band engineering

Mohammad Nisar; Wenning Qin; Junze Zhang; Zhuanghao Zheng; Fu Li; Guangxing Liang; Ping Fan; Yue-Xing Chen

doi:10.54227/mlab.20230023

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Mohammad Nisar, Wenning Qin, Junze Zhang, Zhuanghao Zheng, Fu Li, Guangxing Liang, Ping Fan, Yue-Xing Chen. Synergistic optimization of thermoelectric performance in SnSe2 through Co-doping: anionic vacancy formation and band engineering[J]. Materials Lab, 2024, 3(1): 230023. doi: 10.54227/mlab.20230023

Citation:

Mohammad Nisar, Wenning Qin, Junze Zhang, Zhuanghao Zheng, Fu Li, Guangxing Liang, Ping Fan, Yue-Xing Chen. Synergistic optimization of thermoelectric performance in SnSe₂ through Co-doping: anionic vacancy formation and band engineering[J]. Materials Lab, 2024, 3(1): 230023. doi: 10.54227/mlab.20230023

RESEARCH ARTICLE

Synergistic optimization of thermoelectric performance in SnSe₂ through Co-doping: anionic vacancy formation and band engineering

More Information

Shenzhen Key Laboratory of Advanced Thin Films and Applications, Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, College of Physics and Optoelectronic Engineering, Shenzhen University, Shenzhen 518060, China
Corresponding author: chenyx@szu.edu.cn

Abstract

Abstract

SnSe₂ is a layered crystal structure material that is abundant in the Earth's crust and considered non-toxic. However, its thermoelectric properties are anisotropic due to the differences in its interlayer and intralayer electrical and thermal transport properties. The intrinsically poor thermoelectric performance of SnSe₂ can be attributed to its lower electrical transport properties in its pristine condition. To address this, we developed a method involving combined mechanical alloying (MA) and spark plasma sintering (SPS) to synthesize n-type Sn-rich Cu-Br co-doped SnSe₂ polycrystals. Optimization of Sn enrichment facilitated superior material selection for subsequent doping. The resulting substitutional doping induced a substantial rise in carrier concentration, leading to improved thermoelectric performance. Notably, the power factor displayed a significant increase, reaching approximately 795 µW m⁻¹K⁻² at 765 K through Cu-Br co-doping. Furthermore, density functional theory (DFT) analysis elucidated a reduced bandgap and increased degeneracy within the electronic band structure and density of states, affirming the enhancement of thermoelectric properties in Cu-Br co-doped Sn-rich SnSe₂ polycrystals. Finally, a maximum figure of merit (ZT) value of 0.46 was achieved at 765 K for the Sn_0.985Cu_0.015Se_1.92Br_0.03 sample, perpendicular to the SPS pressing direction, which was nearly threefold higher than the pure SnSe_1.95. This compelling outcome highlights the improved thermoelectric performance of the co-doped SnSe₂ polycrystals.
- SnSe₂ /
- Sn-enrichment /
- Bromine Copper co-doping /
- Thermoelectric Properties /
- DFT
Information

Received Date: 23 May 2023

Revised Date: 09 June 2023

Accepted Date: 26 June 2023

Available Online: 26 June 2023

Publish Date: 12 April 2024

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