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Ultralow thermal conductivity and improved ZT of CuInTe2 by high-entropy structure design
Materials Today Physics ( IF 10.0 ) Pub Date : 2021-03-21 , DOI: 10.1016/j.mtphys.2021.100394
Jianfeng Cai , Junxuan Yang , Guoqiang Liu , Hongxiang Wang , Fanfan Shi , Xiaojian Tan , Zhenhua Ge , Jun Jiang

Entropy engineering has been widely applied to thermoelectrics as an effective strategy to reduce thermal conductivity. On the other hand,the increase of configuration entropy certainly decreases the electrical conductivity simultaneously, leading to the worsening of the thermoelectric performance. In this paper, we report a study on the high entropy structure design for chalcogenide CuInTe2. Based on the analysis of electronic band structure, we show how to optimize the constituents of high-entropy compound to relieve the influence on electrical conductivity. Compared with (CuAg)0.5(ZnGeGaIn)0.25Te2, which has the highest configuration entropy among our samples, the optimized constituents of Cu0.8Ag0.2(ZnGe)0.1(GaIn)0.4Te2 shows the one order higher carrier mobility and little bit higher thermal conductivity. Finally, the highest ZT of 1.02 at 820 K is obtained in Cu0.8Ag0.2(ZnGe)0.1(GaIn)0.4Te2, accompanying with a very low thermal conductivity of 0.5 Wm−1K−1. This work provides a successful example of the high-entropy structure design for thermoelectrics, and it indicates that to reconcile the different requirements of thermal conductivity and electrical conductivity is crucial.



中文翻译:

通过高熵结构设计实现CuInTe 2的超低导热率和改善的ZT

熵工程已被广泛应用于热电学中,作为降低热导率的有效策略。另一方面,构型熵的增加必然同时降低了电导率,导致热电性能变差。在本文中,我们报告了关于硫族化物CuInTe 2的高熵结构设计的研究。在对电子能带结构进行分析的基础上,我们展示了如何优化高熵化合物的成分以减轻对电导率的影响。与我们样品中配置熵最高的(CuAg)0.5(ZnGeGaIn)0.25 Te 2相比,Cu 0.8 Ag的优化成分0.2(ZnGe)0.1(GaIn)0.4 Te 2显示出一阶的载流子迁移率和一点点的热导率。最后,在Cu 0.8 Ag 0.2(ZnGe)0.1(GaIn)0.4 Te 2中获得820 K时1.02的最高ZT,同时具有0.5 Wm -1 K -1的极低导热率。这项工作为热电学的高熵结构设计提供了成功的例子,它表明调和导热率和导电率的不同要求至关重要。

更新日期:2021-03-27
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