Niu Yi, Luo Peng, Sun Hailong, Song Jie, He Xinrui, Wang Chao, Jiang Jing
Clean Energy Materials and Engineering Center, School of Integrated Circuit Science and Engineering, University of Electronic Science and Technology of China, Chengdu 610054, P. R. China.
Department of Precision Instrument, Tsinghua University, Beijing 100084, P. R. China.
ACS Appl Mater Interfaces. 2025 Sep 24;17(38):53800-53807. doi: 10.1021/acsami.5c14459. Epub 2025 Sep 11.
CuTe-based compounds are expected to exhibit superior thermoelectric performance compared to CuS and CuSe due to the larger atomic mass and more covalent bonding of Te atoms, such as chalcogenide selenide and chalcogenide lead. However, the currently reported figure of merit () for CuTe is still lower than that of CuS and CuSe. In this work, the thermoelectric transport properties are studied and optimized by two-step coalloying of CuTe-based materials. An improved average power factor of 7.21 μW cm K is obtained between room temperature and 773 K because of the largely optimized carrier concentration and Seebeck coefficient. Additionally, the total thermal conductivity decreases to 0.55 W m K for AgCuTeS W m K at room temperature, and the lowest thermal conductivity of 0.49 W m K is obtained in AgCuTeS at 523 K because of the tuned carrier concentration and increased entropy. Combined with the simultaneous optimization of electrical transport properties and thermal transport properties, (Ag, S) coalloyed CuTe shows a maximum of 1.4 at 773 K, which is 460% higher than that of CuTe at the corresponding temperature.
由于碲（Te）原子具有更大的原子质量和更多的共价键，与硫化铜（CuS）和硒化铜（CuSe）相比，碲化铜基化合物有望展现出更优异的热电性能，如硫族硒化物和硫族铅化物。然而，目前报道的碲化铜的品质因数（）仍低于硫化铜和硒化铜。在这项工作中，通过对碲化铜基材料进行两步共合金化来研究和优化其热电输运性能。由于载流子浓度和塞贝克系数得到了大幅优化，在室温至773 K之间获得了7.21 μW cm K的改进平均功率因数。此外，在室温下，AgCuTeS的总热导率降至0.55 W m K，而在523 K时，由于载流子浓度的调整和熵的增加，AgCuTeS的最低热导率为0.49 W m K。结合电输运性能和热输运性能的同步优化，（Ag，S）共合金化的碲化铜在773 K时的最大值为1.4，比相应温度下的碲化铜高出460%。
