Strategic vacancy engineering advances record-high ductile AgCu(Te, Se, S) thermoelectrics

Nan-Hai Li, Xiao-Lei Shi (), Si-Qi Liu, Meng Li, Tian-Yi Cao, Min Zhang, Wan-Yu Lyu, Wei-Di Liu, Dong-Chen Qi and Zhi-Gang Chen ()
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Nan-Hai Li: Queensland University of Technology
Xiao-Lei Shi: Queensland University of Technology
Si-Qi Liu: Queensland University of Technology
Meng Li: Queensland University of Technology
Tian-Yi Cao: Queensland University of Technology
Min Zhang: Queensland University of Technology
Wan-Yu Lyu: Queensland University of Technology
Wei-Di Liu: Queensland University of Technology
Dong-Chen Qi: Queensland University of Technology
Zhi-Gang Chen: Queensland University of Technology

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

Abstract: Abstract AgCu(Te, Se, S) alloys, as one of the rare p-type plastic inorganic thermoelectrics, are receiving striking attention for their application foreground in high-performing flexible thermoelectric generators. However, strategies to enhance their thermoelectric performance while maintaining exceptional plasticity remain largely unexplored. Here, we introduce a strategic vacancy-engineering approach to address this challenge. Using computational design as a guide, we carefully tune the cation vacancy concentration to optimize hole carrier concentration, achieving impressive ZTs of ~0.62 at 300 K and ~0.83 at 343 K in (AgCu)0.998Te0.8Se0.1S0.1, ranking among the highest in this class of material. Importantly, numerous diffuse Ag-S bonds combined with amorphous phase introdeuced by vacancy engineering ensure that (AgCu)0.998Te0.8Se0.1S0.1 retains high plasticity while having high performance. A novel flexible thermoelectric device, comprising ductile p-type (AgCu)0.998Te0.8Se0.1S0.1 and n-type commercial Bi2Te3, achieves an impressive power density of ~126 μW cm−2 under 25 K temperature difference, demonstrating significant application prospects for wearable electronics.

Date: 2025
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DOI: 10.1038/s41467-025-58104-x

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