Phase Transitions, Chemical Expansion, and Deuteron Sites in the BaZr 0.7 Ce 0.2 Y 0.1 O 3−δ Proton Conductor
- Autores
- Mather, Glenn C.; Heras Juaristi, Gemma; Ritter, Clemens; Fuentes, Rodolfo Oscar; Chinelatto, Adilson L.; Pérez Coll, Domingo; Amador, Ulises
- Año de publicación
- 2016
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The crystal structure of the technologically relevant, high-temperature proton conductor BaZr0.7Ce0.2Y0.1O3−δ (BZCY72) has been studied by high-resolution neutron powder diffraction performed on a deuterated sample in the temperature range 10–1173 K, complemented with synchrotron X-ray diffraction in the range RT-1173 K. A volume discontinuity on heating indicates a first-order phase transition from orthorhombic (space group Imma) to rhombohedral symmetry (R3̅c) between 85 and 150 K. A further transition to cubic symmetry (Pm3̅m) takes place at ∼570 K, indicated to be second order from the temperature dependence of the octahedral tilt angle. The stability field of the cubic phase was extended on cooling in the dehydrated state to 85 K. Expansion/contraction of the unit-cell volume on heating in low vacuum and air, respectively observed by neutron diffraction and synchrotron X-ray diffraction, was described with a point-defect model involving the temperature dependence of the water content and thermal expansion. Isotropic strain in the hydrated state is apparent on analysis of the broadening of the neutron-diffraction reflections during heating and cooling cycles. Rietveld refinement of the low-temperature neutron data and Fourier nuclear-density maps were employed to locate the deuterium position at a distance of ∼0.90 Å from the bonding oxygen at 10 K.
Fil: Mather, Glenn C.. Instituto de Ceramica y Vidrio de Madrid; España
Fil: Heras Juaristi, Gemma. Instituto de Ceramica y Vidrio de Madrid; España
Fil: Ritter, Clemens. Institut Laue Langevin; Francia
Fil: Fuentes, Rodolfo Oscar. Comisión Nacional de Energía Atómica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Chinelatto, Adilson L.. Universidade Estadual de Ponta Grossa; Brasil
Fil: Pérez Coll, Domingo. Instituto de Ceramica y Vidrio de Madrid; España
Fil: Amador, Ulises. Universidad CEU San Pablo; España - Materia
-
Bczy27
Proton Site
Strain Broadening
Protonic Ceramic Fuel Cell - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/46376
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oai:ri.conicet.gov.ar:11336/46376 |
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CONICET Digital (CONICET) |
spelling |
Phase Transitions, Chemical Expansion, and Deuteron Sites in the BaZr 0.7 Ce 0.2 Y 0.1 O 3−δ Proton ConductorMather, Glenn C.Heras Juaristi, GemmaRitter, ClemensFuentes, Rodolfo OscarChinelatto, Adilson L.Pérez Coll, DomingoAmador, UlisesBczy27Proton SiteStrain BroadeningProtonic Ceramic Fuel Cellhttps://purl.org/becyt/ford/2.5https://purl.org/becyt/ford/2The crystal structure of the technologically relevant, high-temperature proton conductor BaZr0.7Ce0.2Y0.1O3−δ (BZCY72) has been studied by high-resolution neutron powder diffraction performed on a deuterated sample in the temperature range 10–1173 K, complemented with synchrotron X-ray diffraction in the range RT-1173 K. A volume discontinuity on heating indicates a first-order phase transition from orthorhombic (space group Imma) to rhombohedral symmetry (R3̅c) between 85 and 150 K. A further transition to cubic symmetry (Pm3̅m) takes place at ∼570 K, indicated to be second order from the temperature dependence of the octahedral tilt angle. The stability field of the cubic phase was extended on cooling in the dehydrated state to 85 K. Expansion/contraction of the unit-cell volume on heating in low vacuum and air, respectively observed by neutron diffraction and synchrotron X-ray diffraction, was described with a point-defect model involving the temperature dependence of the water content and thermal expansion. Isotropic strain in the hydrated state is apparent on analysis of the broadening of the neutron-diffraction reflections during heating and cooling cycles. Rietveld refinement of the low-temperature neutron data and Fourier nuclear-density maps were employed to locate the deuterium position at a distance of ∼0.90 Å from the bonding oxygen at 10 K.Fil: Mather, Glenn C.. Instituto de Ceramica y Vidrio de Madrid; EspañaFil: Heras Juaristi, Gemma. Instituto de Ceramica y Vidrio de Madrid; EspañaFil: Ritter, Clemens. Institut Laue Langevin; FranciaFil: Fuentes, Rodolfo Oscar. Comisión Nacional de Energía Atómica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Chinelatto, Adilson L.. Universidade Estadual de Ponta Grossa; BrasilFil: Pérez Coll, Domingo. Instituto de Ceramica y Vidrio de Madrid; EspañaFil: Amador, Ulises. Universidad CEU San Pablo; EspañaAmerican Chemical Society2016-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/46376Mather, Glenn C.; Heras Juaristi, Gemma; Ritter, Clemens; Fuentes, Rodolfo Oscar; Chinelatto, Adilson L.; et al.; Phase Transitions, Chemical Expansion, and Deuteron Sites in the BaZr 0.7 Ce 0.2 Y 0.1 O 3−δ Proton Conductor; American Chemical Society; Chemistry Of Materials; 28; 12; 6-2016; 4292-42990897-4756CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1021/acs.chemmater.6b01095info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.chemmater.6b01095info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:31:31Zoai:ri.conicet.gov.ar:11336/46376instacron: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 10:31:31.775CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Phase Transitions, Chemical Expansion, and Deuteron Sites in the BaZr 0.7 Ce 0.2 Y 0.1 O 3−δ Proton Conductor |
title |
Phase Transitions, Chemical Expansion, and Deuteron Sites in the BaZr 0.7 Ce 0.2 Y 0.1 O 3−δ Proton Conductor |
spellingShingle |
Phase Transitions, Chemical Expansion, and Deuteron Sites in the BaZr 0.7 Ce 0.2 Y 0.1 O 3−δ Proton Conductor Mather, Glenn C. Bczy27 Proton Site Strain Broadening Protonic Ceramic Fuel Cell |
title_short |
Phase Transitions, Chemical Expansion, and Deuteron Sites in the BaZr 0.7 Ce 0.2 Y 0.1 O 3−δ Proton Conductor |
title_full |
Phase Transitions, Chemical Expansion, and Deuteron Sites in the BaZr 0.7 Ce 0.2 Y 0.1 O 3−δ Proton Conductor |
title_fullStr |
Phase Transitions, Chemical Expansion, and Deuteron Sites in the BaZr 0.7 Ce 0.2 Y 0.1 O 3−δ Proton Conductor |
title_full_unstemmed |
Phase Transitions, Chemical Expansion, and Deuteron Sites in the BaZr 0.7 Ce 0.2 Y 0.1 O 3−δ Proton Conductor |
title_sort |
Phase Transitions, Chemical Expansion, and Deuteron Sites in the BaZr 0.7 Ce 0.2 Y 0.1 O 3−δ Proton Conductor |
dc.creator.none.fl_str_mv |
Mather, Glenn C. Heras Juaristi, Gemma Ritter, Clemens Fuentes, Rodolfo Oscar Chinelatto, Adilson L. Pérez Coll, Domingo Amador, Ulises |
author |
Mather, Glenn C. |
author_facet |
Mather, Glenn C. Heras Juaristi, Gemma Ritter, Clemens Fuentes, Rodolfo Oscar Chinelatto, Adilson L. Pérez Coll, Domingo Amador, Ulises |
author_role |
author |
author2 |
Heras Juaristi, Gemma Ritter, Clemens Fuentes, Rodolfo Oscar Chinelatto, Adilson L. Pérez Coll, Domingo Amador, Ulises |
author2_role |
author author author author author author |
dc.subject.none.fl_str_mv |
Bczy27 Proton Site Strain Broadening Protonic Ceramic Fuel Cell |
topic |
Bczy27 Proton Site Strain Broadening Protonic Ceramic Fuel Cell |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/2.5 https://purl.org/becyt/ford/2 |
dc.description.none.fl_txt_mv |
The crystal structure of the technologically relevant, high-temperature proton conductor BaZr0.7Ce0.2Y0.1O3−δ (BZCY72) has been studied by high-resolution neutron powder diffraction performed on a deuterated sample in the temperature range 10–1173 K, complemented with synchrotron X-ray diffraction in the range RT-1173 K. A volume discontinuity on heating indicates a first-order phase transition from orthorhombic (space group Imma) to rhombohedral symmetry (R3̅c) between 85 and 150 K. A further transition to cubic symmetry (Pm3̅m) takes place at ∼570 K, indicated to be second order from the temperature dependence of the octahedral tilt angle. The stability field of the cubic phase was extended on cooling in the dehydrated state to 85 K. Expansion/contraction of the unit-cell volume on heating in low vacuum and air, respectively observed by neutron diffraction and synchrotron X-ray diffraction, was described with a point-defect model involving the temperature dependence of the water content and thermal expansion. Isotropic strain in the hydrated state is apparent on analysis of the broadening of the neutron-diffraction reflections during heating and cooling cycles. Rietveld refinement of the low-temperature neutron data and Fourier nuclear-density maps were employed to locate the deuterium position at a distance of ∼0.90 Å from the bonding oxygen at 10 K. Fil: Mather, Glenn C.. Instituto de Ceramica y Vidrio de Madrid; España Fil: Heras Juaristi, Gemma. Instituto de Ceramica y Vidrio de Madrid; España Fil: Ritter, Clemens. Institut Laue Langevin; Francia Fil: Fuentes, Rodolfo Oscar. Comisión Nacional de Energía Atómica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina Fil: Chinelatto, Adilson L.. Universidade Estadual de Ponta Grossa; Brasil Fil: Pérez Coll, Domingo. Instituto de Ceramica y Vidrio de Madrid; España Fil: Amador, Ulises. Universidad CEU San Pablo; España |
description |
The crystal structure of the technologically relevant, high-temperature proton conductor BaZr0.7Ce0.2Y0.1O3−δ (BZCY72) has been studied by high-resolution neutron powder diffraction performed on a deuterated sample in the temperature range 10–1173 K, complemented with synchrotron X-ray diffraction in the range RT-1173 K. A volume discontinuity on heating indicates a first-order phase transition from orthorhombic (space group Imma) to rhombohedral symmetry (R3̅c) between 85 and 150 K. A further transition to cubic symmetry (Pm3̅m) takes place at ∼570 K, indicated to be second order from the temperature dependence of the octahedral tilt angle. The stability field of the cubic phase was extended on cooling in the dehydrated state to 85 K. Expansion/contraction of the unit-cell volume on heating in low vacuum and air, respectively observed by neutron diffraction and synchrotron X-ray diffraction, was described with a point-defect model involving the temperature dependence of the water content and thermal expansion. Isotropic strain in the hydrated state is apparent on analysis of the broadening of the neutron-diffraction reflections during heating and cooling cycles. Rietveld refinement of the low-temperature neutron data and Fourier nuclear-density maps were employed to locate the deuterium position at a distance of ∼0.90 Å from the bonding oxygen at 10 K. |
publishDate |
2016 |
dc.date.none.fl_str_mv |
2016-06 |
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/11336/46376 Mather, Glenn C.; Heras Juaristi, Gemma; Ritter, Clemens; Fuentes, Rodolfo Oscar; Chinelatto, Adilson L.; et al.; Phase Transitions, Chemical Expansion, and Deuteron Sites in the BaZr 0.7 Ce 0.2 Y 0.1 O 3−δ Proton Conductor; American Chemical Society; Chemistry Of Materials; 28; 12; 6-2016; 4292-4299 0897-4756 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/46376 |
identifier_str_mv |
Mather, Glenn C.; Heras Juaristi, Gemma; Ritter, Clemens; Fuentes, Rodolfo Oscar; Chinelatto, Adilson L.; et al.; Phase Transitions, Chemical Expansion, and Deuteron Sites in the BaZr 0.7 Ce 0.2 Y 0.1 O 3−δ Proton Conductor; American Chemical Society; Chemistry Of Materials; 28; 12; 6-2016; 4292-4299 0897-4756 CONICET Digital CONICET |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.chemmater.6b01095 info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.chemmater.6b01095 |
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 |
American Chemical Society |
publisher.none.fl_str_mv |
American Chemical Society |
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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1844614326224158720 |
score |
13.070432 |