期刊
SUSTAINABLE ENERGY & FUELS
卷 5, 期 22, 页码 5804-5813出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/d1se01007g
关键词
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资金
- Ministere de la Recherche
- Japan Society for the Promotion of Science (JSPS) [P19720]
- region Normandie
Current state-of-the-art thermoelectric materials are costly, scarce, and toxic, while copper-based sulfide compounds have emerged as promising alternatives. The successful synthesis of single-phase cubic isocubanite using mechanical-alloying combined with microwave-assisted synthesis has resulted in a maximum thermoelectric figure of merit of approximately 0.14 at 673 K. Detailed insights into the structure of isocubanite, confirmed through X-ray diffraction data refinement and first-principles calculations, reveal an inherently disordered arrangement of Cu-Fe cations occupying the 4d sites of the cubic structure.
Current state-of-the-art materials for thermoelectrics are generally composed of expensive, scarce, and toxic elements. In this aspect, copper-based sulfide compounds have emerged as viable alternatives. Herein, we report for the first time the successful synthesis of single-phase cubic isocubanite CuFe2S3 using mechanical-alloying combined with microwave-assisted synthesis. The isocubanite phase synthesized via this ultra-fast out-of-equilibrium process exhibits a maximum thermoelectric figure of merit, zT(max) similar to 0.14 at 673 K. Besides the thermoelectric properties, insights about the structure of isocubanite, based on the refinement of X-ray diffraction data and first-principles calculations, are also elucidated in detail. They confirm that the Cu-Fe cations in synthetic isocubanite overwhelmingly occupy the 4d sites of the cubic structure in an inherently disordered fashion.
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