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Unveiling the Correlation between the Crystalline Structure of M‐Filled CoSb3 (M = Y, K, Sr) Skutterudites and Their Thermoelectric Transport Properties
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2020-07-12 , DOI: 10.1002/adfm.202001651
Javier Gainza 1 , Federico Serrano‐Sánchez 1 , João E. Rodrigues 1 , Jesús Prado‐Gonjal 2 , Norbert M. Nemes 3 , Neven Biskup 3, 4 , Oscar J. Dura 5 , José L. Martínez 1 , François Fauth 6 , José A. Alonso 1
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2020-07-12 , DOI: 10.1002/adfm.202001651
Javier Gainza 1 , Federico Serrano‐Sánchez 1 , João E. Rodrigues 1 , Jesús Prado‐Gonjal 2 , Norbert M. Nemes 3 , Neven Biskup 3, 4 , Oscar J. Dura 5 , José L. Martínez 1 , François Fauth 6 , José A. Alonso 1
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Skutterudite‐type pnictides based on CoSb3 are promising semiconductor materials for thermoelectric applications. An exhaustive structural characterization by synchrotron X‐ray powder diffraction of different M‐filled CoSb3 (M = Y, K, Sr, La, Ce, Yb) skutterudites, with a panoply of M atoms with very different chemical nature, allows to better understand the effects of filling from a crystallo‐chemical point of view. These analyses focus on the correlation of chemical and structural features with the enhanced thermoelectric properties displayed by certain families of filled‐CoSb3 skutterudites. These are mainly determined by Sb positional parameters, yielding Oftedal plots that depend on the filling fraction, ionic state, and atomic radius of the filler. Together with the distortion of [Sb4] rings and [CoSb6] octahedra present in the skutterudite structure, these results are linked to the band‐convergence concept and its influence on the thermoelectric transport properties. Here, the structural changes observed in the different chemical compositions are relevant to understand the improved thermoelectric performance of single partially filled n‐type skutterudites.
中文翻译：
揭示了M填充的CoSb3（M = Y，K，Sr）方钴矿的晶体结构与其热电输运性质之间的相关性
基于CoSb 3的Skutterudite型磷化物是有前途的热电应用半导体材料。通过同步加速器X射线粉末衍射对不同的M填充的CoSb 3（M = Y，K，Sr，La，Ce，Yb）闪锌矿进行详尽的结构表征，可以使M原子具有不同的化学性质。从结晶化学的角度了解填充的效果。这些分析着重于化学和结构特征与某些填充CoSb 3族所显示的增强的热电特性之间的相关性。skutterudite。这些主要由Sb位置参数确定，并得出Oftedal图，该图取决于填充率，离子态和填充剂的原子半径。这些结果与方钴矿结构中存在的[Sb 4 ]环和[CoSb 6 ]八面体的畸变一起，都与谱带收敛概念及其对热电输运性质的影响有关。在这里，在不同化学成分中观察到的结构变化与理解单个部分填充的n型方钴矿改善的热电性能有关。
更新日期：2020-09-03
中文翻译：
揭示了M填充的CoSb3（M = Y，K，Sr）方钴矿的晶体结构与其热电输运性质之间的相关性
基于CoSb 3的Skutterudite型磷化物是有前途的热电应用半导体材料。通过同步加速器X射线粉末衍射对不同的M填充的CoSb 3（M = Y，K，Sr，La，Ce，Yb）闪锌矿进行详尽的结构表征，可以使M原子具有不同的化学性质。从结晶化学的角度了解填充的效果。这些分析着重于化学和结构特征与某些填充CoSb 3族所显示的增强的热电特性之间的相关性。skutterudite。这些主要由Sb位置参数确定，并得出Oftedal图，该图取决于填充率，离子态和填充剂的原子半径。这些结果与方钴矿结构中存在的[Sb 4 ]环和[CoSb 6 ]八面体的畸变一起，都与谱带收敛概念及其对热电输运性质的影响有关。在这里，在不同化学成分中观察到的结构变化与理解单个部分填充的n型方钴矿改善的热电性能有关。
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