论文标题
通过超快速有效的微波辐射技术合成的单相异构石（CUFE2S3）的热电性能的结构研究和评估
Structural study and evaluation of thermoelectric properties of single-phase isocubanite (CuFe2S3) synthesized via an ultra-fast efficient microwave radiation technique
论文作者
论文摘要
当前的最新热电材料通常由昂贵，稀缺和有毒的元素组成。在这方面，基于铜的硫化物化合物已成为可行的替代品。在本文中，我们首次使用机械合金结合了微波炉辅助合成，成功地报告了单相立方体异族cufe2s3的成功合成。通过这种超及平衡过程合成的异能石相，在673 K处表现出最大的功绩热电图，Ztmax〜0.14。除了热电特性外，还基于X射线散射数据和第一个原理计算的X射线散射数据的完善，对等异形物结构的见解，以及X射线扩散数据的改进。它证实，合成异糖岩中的Cu-fe阳离子压倒性地占据了立方结构的4D位置，以固有的无序方式。
The current state-of-the-art thermoelectric materials are generally composed of expensive, scarce, and toxic elements. In this respect, 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 investigated in detail. It confirms that the Cu-Fe cations in synthetic isocubanite overwhelmingly occupy the 4d sites of the cubic structure in an inherently disordered fashion.
