由低成本且丰富的 CuS/CuI 复合材料制成的高性能热电材料,Journal of Materials Chemistry A

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由低成本且丰富的 CuS/CuI 复合材料制成的高性能热电材料
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2023-12-19 , DOI: 10.1039/d3ta06474c
Rafiq Mulla _{1,

2} , Aleksandar Živković ₃ , Michael E. A. Warwick ₁ , Nora H. de Leeuw _{3,

4} , Charles W. Dunnill ₁ , Andrew R. Barron _{1,

5,

6,

7}

Affiliation

同时具有优异电导率 ( σ ) 和高塞贝克系数 ( S ) 的材料对于热电应用非常重要。然而，获得此类材料是一项具有挑战性的任务，因为σ和S彼此成反比。这里，已经证明了一种新的制造工艺，可以生产具有所需性能的复合材料。高导电硫化铜 (CuS) 颗粒被封装在具有高塞贝克系数的化合物中，即碘化铜 (CuI)，形成核壳型复合材料。所提出的结果表明，与单独的起始材料相比，生产此类复合材料的概念允许优化σ和S，以提供增强的热电性能（使用品质因数zT测量）。进行量子力学计算以详细说明在碘化铜和硫化铜之间的界面处形成的肖特基势垒，并阐明改进的传输机制的各个方面。此外，还确定了各个复合部件之间的优化成分比，同时表现出高功率因数和降低的导热率。结果，在室温下观察到了 0.46 的改进值，这表明这些简单、丰富且无毒的 CuS/CuI 复合材料是热电材料的有吸引力的候选者。

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High performance thermoelectrics from low-cost and abundant CuS/CuI composites

Materials with simultaneously excellent electrical conductivity (σ) and a high Seebeck coefficient (S) are important for thermoelectric applications. However, obtaining such materials is a challenging task as σ and S vary inversely with respect to each other. Here, a new fabrication process has been demonstrated that produces composite materials with desired properties. Electrically highly conducting copper sulphide (CuS) particles are encapsulated within a compound with a high Seebeck coefficient, i.e. copper iodide (CuI), to form core–shell type composites. The presented results show that the concept of producing such composites allows the optimisation of both σ and S to provide enhanced thermoelectric performance (measured using the figure of merit, zT) when compared to the individual starting materials. Quantum mechanical calculations are performed to elaborate on the Schottky barrier formed at the interface between copper iodide and copper sulphide and elucidate aspects of the improved transport mechanism. Furthermore, an optimized compositional ratio between the respective composite parts is identified, which at the same time exhibits a high power factor and reduced thermal conductivity. As a result, an improved value of 0.46 at room temperature has been observed, demonstrating that these simple, abundant, and non-toxic CuS/CuI composites are attractive candidates for thermoelectrics.

更新日期：2023-12-19

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