Unveiling the Correlation between the Crystalline Structure of M‐Filled CoSb3 (M = Y, K, Sr) Skutterudites and Their Thermoelectric Transport Properties

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dc.contributor.authorGainza, Javier
dc.contributor.authorSerrano‐Sánchez, Federico
dc.contributor.authorRodrigues, João
dc.contributor.authorPrado Gonjal, Jesús De La Paz
dc.contributor.authorNemes, Norbert Marcel
dc.contributor.authorBiskup Zaja, Nevenko
dc.contributor.authorDura, Oscar
dc.contributor.authorMartínez, José
dc.contributor.authorFauth, François
dc.contributor.authorAlonso, José
dc.date.accessioned2024-01-29T11:04:53Z
dc.date.available2024-01-29T11:04:53Z
dc.date.issued2020
dc.description.abstractSkutterudite‐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.
dc.description.departmentDepto. de Química Inorgánica
dc.description.facultyFac. de Ciencias Químicas
dc.description.refereedTRUE
dc.description.sponsorshipMinisterio de Ciencia, Innovación y Universidades (España)
dc.description.sponsorshipEuropean Commission
dc.description.sponsorshipUniversidad Complutense de Madrid
dc.description.sponsorshipComunidad de Madrid
dc.description.statuspub
dc.identifier.citationGainza, Javier, et al. «Unveiling the Correlation between the Crystalline Structure of M‐Filled CoSb 3 (M = Y, K, Sr) Skutterudites and Their Thermoelectric Transport Properties». Advanced Functional Materials, vol. 30, n.o 36, septiembre de 2020, p. 2001651. https://doi.org/10.1002/adfm.202001651.
dc.identifier.doi10.1002/adfm.202001651
dc.identifier.essn1616-3028
dc.identifier.issn1616-301X
dc.identifier.officialurlhttps://doi.org/10.1002/adfm.202001651
dc.identifier.urihttps://hdl.handle.net/20.500.14352/95884
dc.issue.number36
dc.journal.titleAdvanced Functional Materials
dc.language.isoeng
dc.page.initial2001651
dc.publisherWiley
dc.relation.projectIDMAT2017-84496-R, MAT2017-87134-C2-2-R, and RTI2018-097895-B-C43
dc.relation.projectIDPRE2018-083398
dc.relation.projectID(Finance Code 001: 88881.171031/2018-01)
dc.relation.projectIDfor granting an “Atracción de Talento” fellowship (2017-T2-IND-5597) and grant number PR65/19-22459
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internationalen
dc.rights.accessRightsopen access
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subject.cdu546
dc.subject.keywordThermoelectricity
dc.subject.keywordSkutterudite
dc.subject.keywordPhonon-Glass Electron-Crystal
dc.subject.ucmCristalografía (Química)
dc.subject.ucmMateriales
dc.subject.ucmQuímica inorgánica (Química)
dc.subject.unesco2211.04 Cristalografía
dc.subject.unesco2210.28-1 Preparación y Caracterización de Materiales Inorgánicos
dc.subject.unesco2303 Química Inorgánica
dc.subject.unesco2210.28 Química del Estado Sólido
dc.titleUnveiling the Correlation between the Crystalline Structure of M‐Filled CoSb3 (M = Y, K, Sr) Skutterudites and Their Thermoelectric Transport Properties
dc.typejournal article
dc.type.hasVersionAM
dc.volume.number30
dspace.entity.typePublication
relation.isAuthorOfPublication7a2b8d3d-7159-48e6-a318-76923a9867ed
relation.isAuthorOfPublication697f3953-540b-435a-afc9-ec307315d667
relation.isAuthorOfPublication671e957a-9daa-4bd5-9876-eee854146782
relation.isAuthorOfPublication.latestForDiscovery7a2b8d3d-7159-48e6-a318-76923a9867ed
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