Enhanced thermoelectric performance of ternary compound Cu₃PSe₄ by defect engineering

Yu-Meng Zhang¹，Xing-Chen Shen^1,2,3，Yan-Ci Yan¹，Gui-Wen Wang⁴，Guo-Yu Wang^2,3，Jiang-Yu Li⁵，Xu Lu¹，Xiao-Yuan Zhou^1,4

1. Chongqing Key Laboratory of Soft Condensed Matter Physics and Smart Materials, College of Physics, Chongqing University2. Chongqing Institute of Green and Intelligent Technology,Chinese Academy of Science3. University of Chinese Academy of Sciences4. Analytical and Testing Center of Chongqing University5. Shenzhen Key Laboratory of Nanobiomechanics, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences

摘 要：The diamond-like compound Cu₃PSe₄ with low lattice thermal conductivity is deemed to be a promising thermoelectric material,which can directly convert waste heat into electricity or vice versa with no moving parts and greenhouse emissions.However,its performance is limited by its low electrical conductivity.In this study,we report an effective method to enhance thermoelectric performance of Cu₃PSe₄ by defect engineering.It is found that the carrier concentrations of Cu_3-xPSe₄（x=0,0.03,0.06,0.09,0.12） compounds are increased by two orders of magnitude as x> 0.03,from 1 × 10¹⁷ to 1 × 10¹⁹ cm-3.Combined with the intrinsically low lattice thermal conductivities and enhanced electrical transport performance,a maximum zT value of 0.62 is obtained at 727 K for x=0.12 sample,revealing that Cu defect regulation can be an effective method for enhancing thermoelectric performance of Cu₃PSe₄.

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