Structural study and evaluation of thermoelectric properties of single-phase isocubanite (CuFe<sub>2</sub>S<sub>3</sub>) synthesized <i>via</i> an ultra-fast efficient microwave radiation technique - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Sustainable Energy & Fuels Année : 2021

Structural study and evaluation of thermoelectric properties of single-phase isocubanite (CuFe2S3) synthesized via an ultra-fast efficient microwave radiation technique

Résumé

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, zTmax $ 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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Chimie

Dates et versions

hal-03854027 , version 1 (15-11-2022)

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Citer

Tristan Barbier, Bhuvanesh Srinivasan, David Berthebaud, Volker Eyert, Raymond Frésard, et al.. Structural study and evaluation of thermoelectric properties of single-phase isocubanite (CuFe2S3) synthesized via an ultra-fast efficient microwave radiation technique. Sustainable Energy & Fuels, 2021, 5 (22), pp.5804-5813. ⟨10.1039/d1se01007g⟩. ⟨hal-03854027⟩
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