Unveiling the Correlation between the Crystalline Structure of M‐Filled CoSb3 (M = Y, K, Sr) Skutterudites and Their Thermoelectric Transport Properties
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 ver...
| Autores: | , , , , , , , , , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2020 |
| País: | España |
| Institución: | Universidad Complutense de Madrid (UCM) |
| Repositorio: | Docta Complutense |
| Idioma: | inglés |
| OAI Identifier: | oai:docta.ucm.es:20.500.14352/95884 |
| Acceso en línea: | https://hdl.handle.net/20.500.14352/95884 |
| Access Level: | acceso abierto |
| Palabra clave: | 546 Thermoelectricity Skutterudite Phonon-Glass Electron-Crystal Cristalografía (Química) Materiales Química inorgánica (Química) 2211.04 Cristalografía 2210.28-1 Preparación y Caracterización de Materiales Inorgánicos 2303 Química Inorgánica 2210.28 Química del Estado Sólido |
| Sumario: | 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. |
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