Anomalous X-ray diffraction study of Pr-substituted BaCeO3 − δ

Autores
Basbus, Juan Felipe; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego Germán; Mogni, Liliana Verónica
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The effect of Pr doping on the crystal structure and site occupancy was studied for the nominally synthesized BaCe1 − xPrxO3 − δ (x = 0, 0.2, 0.4, 0.6 and 0.8) perovskites using anomalous X‐ray powder diffraction (AXRD) data and Rietveld analysis. Crystal structure parameters were accurately determined using 10 000 eV photons, and the Pr occupancy was refined using data collected with 5962 eV photons, close to the Pr LIII absorption edge. BaCe1 − xPrxO3 − δ crystallizes in the Pnma (No. 62) space group for all x values. Pr cations are mainly located at the Ce sites (perovskites B site), but a small fraction of them increasingly substitute some of the Ba ions at the A site as Pr content increases. The Pr doping introduces electronic defects (Pr+3/Pr+4) and oxygen vacancies needed for H2O incorporation and H‐ionic conductivity. A decrease in the orthorhombic distortion would produce the opposite effects on the electronic and ionic mobility. The electronic mobility should increase due to an improvement in the overlap of the (Ce/Pr)4f–O2p orbital, while the proton mobility should decrease as a consequence of a larger hopping distance.
Fil: Basbus, Juan Felipe. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Caneiro, Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Suescun, Leopoldo. Universidad de la República; Uruguay
Fil: Lamas, Diego Germán. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina
Fil: Mogni, Liliana Verónica. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Materia
Anomalous Xray Difraction
Synchrotron X-Ray Diffraction
Electronic And Ionic Mobility
Proton Conductor
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/41757
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/41757
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Anomalous X-ray diffraction study of Pr-substituted BaCeO3 − δBasbus, Juan FelipeCaneiro, AlbertoSuescun, LeopoldoLamas, Diego GermánMogni, Liliana VerónicaAnomalous Xray DifractionSynchrotron X-Ray DiffractionElectronic And Ionic MobilityProton ConductorThe effect of Pr doping on the crystal structure and site occupancy was studied for the nominally synthesized BaCe1 − xPrxO3 − δ (x = 0, 0.2, 0.4, 0.6 and 0.8) perovskites using anomalous X‐ray powder diffraction (AXRD) data and Rietveld analysis. Crystal structure parameters were accurately determined using 10 000 eV photons, and the Pr occupancy was refined using data collected with 5962 eV photons, close to the Pr LIII absorption edge. BaCe1 − xPrxO3 − δ crystallizes in the Pnma (No. 62) space group for all x values. Pr cations are mainly located at the Ce sites (perovskites B site), but a small fraction of them increasingly substitute some of the Ba ions at the A site as Pr content increases. The Pr doping introduces electronic defects (Pr+3/Pr+4) and oxygen vacancies needed for H2O incorporation and H‐ionic conductivity. A decrease in the orthorhombic distortion would produce the opposite effects on the electronic and ionic mobility. The electronic mobility should increase due to an improvement in the overlap of the (Ce/Pr)4f–O2p orbital, while the proton mobility should decrease as a consequence of a larger hopping distance.Fil: Basbus, Juan Felipe. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; ArgentinaFil: Caneiro, Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; ArgentinaFil: Suescun, Leopoldo. Universidad de la República; UruguayFil: Lamas, Diego Germán. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; ArgentinaFil: Mogni, Liliana Verónica. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; ArgentinaWiley Blackwell Publishing, Inc2015-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/41757Basbus, Juan Felipe; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego Germán; Mogni, Liliana Verónica; Anomalous X-ray diffraction study of Pr-substituted BaCeO3 − δ; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section B-Structural Science; 71; 8-2015; 455-4620108-76812052-5206CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1107/S2052520615010203info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/abs/10.1107/S2052520615010203info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S2052520615010203info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:49:29Zoai:ri.conicet.gov.ar:11336/41757instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 09:49:29.604CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Anomalous X-ray diffraction study of Pr-substituted BaCeO3 − δ
title Anomalous X-ray diffraction study of Pr-substituted BaCeO3 − δ
spellingShingle Anomalous X-ray diffraction study of Pr-substituted BaCeO3 − δ
Basbus, Juan Felipe
Anomalous Xray Difraction
Synchrotron X-Ray Diffraction
Electronic And Ionic Mobility
Proton Conductor
title_short Anomalous X-ray diffraction study of Pr-substituted BaCeO3 − δ
title_full Anomalous X-ray diffraction study of Pr-substituted BaCeO3 − δ
title_fullStr Anomalous X-ray diffraction study of Pr-substituted BaCeO3 − δ
title_full_unstemmed Anomalous X-ray diffraction study of Pr-substituted BaCeO3 − δ
title_sort Anomalous X-ray diffraction study of Pr-substituted BaCeO3 − δ
dc.creator.none.fl_str_mv Basbus, Juan Felipe
Caneiro, Alberto
Suescun, Leopoldo
Lamas, Diego Germán
Mogni, Liliana Verónica
author Basbus, Juan Felipe
author_facet Basbus, Juan Felipe
Caneiro, Alberto
Suescun, Leopoldo
Lamas, Diego Germán
Mogni, Liliana Verónica
author_role author
author2 Caneiro, Alberto
Suescun, Leopoldo
Lamas, Diego Germán
Mogni, Liliana Verónica
author2_role author
author
author
author
dc.subject.none.fl_str_mv Anomalous Xray Difraction
Synchrotron X-Ray Diffraction
Electronic And Ionic Mobility
Proton Conductor
topic Anomalous Xray Difraction
Synchrotron X-Ray Diffraction
Electronic And Ionic Mobility
Proton Conductor
dc.description.none.fl_txt_mv The effect of Pr doping on the crystal structure and site occupancy was studied for the nominally synthesized BaCe1 − xPrxO3 − δ (x = 0, 0.2, 0.4, 0.6 and 0.8) perovskites using anomalous X‐ray powder diffraction (AXRD) data and Rietveld analysis. Crystal structure parameters were accurately determined using 10 000 eV photons, and the Pr occupancy was refined using data collected with 5962 eV photons, close to the Pr LIII absorption edge. BaCe1 − xPrxO3 − δ crystallizes in the Pnma (No. 62) space group for all x values. Pr cations are mainly located at the Ce sites (perovskites B site), but a small fraction of them increasingly substitute some of the Ba ions at the A site as Pr content increases. The Pr doping introduces electronic defects (Pr+3/Pr+4) and oxygen vacancies needed for H2O incorporation and H‐ionic conductivity. A decrease in the orthorhombic distortion would produce the opposite effects on the electronic and ionic mobility. The electronic mobility should increase due to an improvement in the overlap of the (Ce/Pr)4f–O2p orbital, while the proton mobility should decrease as a consequence of a larger hopping distance.
Fil: Basbus, Juan Felipe. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Caneiro, Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Suescun, Leopoldo. Universidad de la República; Uruguay
Fil: Lamas, Diego Germán. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina
Fil: Mogni, Liliana Verónica. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
description The effect of Pr doping on the crystal structure and site occupancy was studied for the nominally synthesized BaCe1 − xPrxO3 − δ (x = 0, 0.2, 0.4, 0.6 and 0.8) perovskites using anomalous X‐ray powder diffraction (AXRD) data and Rietveld analysis. Crystal structure parameters were accurately determined using 10 000 eV photons, and the Pr occupancy was refined using data collected with 5962 eV photons, close to the Pr LIII absorption edge. BaCe1 − xPrxO3 − δ crystallizes in the Pnma (No. 62) space group for all x values. Pr cations are mainly located at the Ce sites (perovskites B site), but a small fraction of them increasingly substitute some of the Ba ions at the A site as Pr content increases. The Pr doping introduces electronic defects (Pr+3/Pr+4) and oxygen vacancies needed for H2O incorporation and H‐ionic conductivity. A decrease in the orthorhombic distortion would produce the opposite effects on the electronic and ionic mobility. The electronic mobility should increase due to an improvement in the overlap of the (Ce/Pr)4f–O2p orbital, while the proton mobility should decrease as a consequence of a larger hopping distance.
publishDate 2015
dc.date.none.fl_str_mv 2015-08
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/41757
Basbus, Juan Felipe; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego Germán; Mogni, Liliana Verónica; Anomalous X-ray diffraction study of Pr-substituted BaCeO3 − δ; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section B-Structural Science; 71; 8-2015; 455-462
0108-7681
2052-5206
CONICET Digital
CONICET
url http://hdl.handle.net/11336/41757
identifier_str_mv Basbus, Juan Felipe; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego Germán; Mogni, Liliana Verónica; Anomalous X-ray diffraction study of Pr-substituted BaCeO3 − δ; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section B-Structural Science; 71; 8-2015; 455-462
0108-7681
2052-5206
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1107/S2052520615010203
info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/abs/10.1107/S2052520615010203
info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S2052520615010203
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.070432

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