Local atomic structure in tetragonal pure ZrO2 nanopowders

Autores
Acuña, Leandro Marcelo; Lamas, Diego Germán; Fuentes, Rodolfo Oscar; Fabregas, Ismael Oscar; Fantini, Márcia C. A.; Craievich, Aldo F.; Prado, Rogério J.
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The local atomic structures around the Zr atom of pure (undoped) ZrO 2 nanopowders with different average crystallite sizes, ranging from 7 to 40 nm, have been investigated. The nanopowders were synthesized by different wet-chemical routes, but all exhibit the high-temperature tetragonal phase stabilized at room temperature, as established by synchrotron radiation X-ray diffraction. The extended X-ray absorption fine structure (EXAFS) technique was applied to analyze the local structure around the Zr atoms. Several authors have studied this system using the EXAFS technique without obtaining a good agreement between crystallographic and EXAFS data. In this work, it is shown that the local structure of ZrO2 nanopowders can be described by a model consisting of two oxygen subshells (4 + 4 atoms) with different Zr-O distances, in agreement with those independently determined by X-ray diffraction. However, the EXAFS study shows that the second oxygen subshell exhibits a Debye-Waller (DW) parameter much higher than that of the first oxygen subshell, a result that cannot be explained by the crystallographic model accepted for the tetragonal phase of zirconia-based materials. However, as proposed by other authors, the difference in the DW parameters between the two oxygen subshells around the Zr atoms can be explained by the existence of oxygen displacements perpendicular to the z direction; these mainly affect the second oxygen subshell because of the directional character of the EXAFS DW parameter, in contradiction to the crystallographic value. It is also established that this model is similar to another model having three oxygen subshells, with a 4 + 2 + 2 distribution of atoms, with only one DW parameter for all oxygen subshells. Both models are in good agreement with the crystal structure determined by X-ray diffraction experiments.
Fil: Acuña, Leandro Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones Científicas y Técnicas de las Fuerzas Armadas. Centro de Investigaciones en Sólidos; Argentina
Fil: Lamas, Diego Germán. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones Científicas y Técnicas de las Fuerzas Armadas. Centro de Investigaciones en Sólidos; Argentina
Fil: Fuentes, Rodolfo Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones Científicas y Técnicas de las Fuerzas Armadas. Centro de Investigaciones en Sólidos; Argentina
Fil: Fabregas, Ismael Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones Científicas y Técnicas de las Fuerzas Armadas. Centro de Investigaciones en Sólidos; Argentina
Fil: Fantini, Márcia C. A.. Universidade de Sao Paulo; Brasil
Fil: Craievich, Aldo F.. Universidade de Sao Paulo; Brasil
Fil: Prado, Rogério J.. Universidade Federal do Mato Grosso do Sul; Brasil
Materia
ZIRCONIA
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:11336/99511

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network_name_str CONICET Digital (CONICET)
spelling Local atomic structure in tetragonal pure ZrO2 nanopowdersAcuña, Leandro MarceloLamas, Diego GermánFuentes, Rodolfo OscarFabregas, Ismael OscarFantini, Márcia C. A.Craievich, Aldo F.Prado, Rogério J.ZIRCONIAhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The local atomic structures around the Zr atom of pure (undoped) ZrO 2 nanopowders with different average crystallite sizes, ranging from 7 to 40 nm, have been investigated. The nanopowders were synthesized by different wet-chemical routes, but all exhibit the high-temperature tetragonal phase stabilized at room temperature, as established by synchrotron radiation X-ray diffraction. The extended X-ray absorption fine structure (EXAFS) technique was applied to analyze the local structure around the Zr atoms. Several authors have studied this system using the EXAFS technique without obtaining a good agreement between crystallographic and EXAFS data. In this work, it is shown that the local structure of ZrO2 nanopowders can be described by a model consisting of two oxygen subshells (4 + 4 atoms) with different Zr-O distances, in agreement with those independently determined by X-ray diffraction. However, the EXAFS study shows that the second oxygen subshell exhibits a Debye-Waller (DW) parameter much higher than that of the first oxygen subshell, a result that cannot be explained by the crystallographic model accepted for the tetragonal phase of zirconia-based materials. However, as proposed by other authors, the difference in the DW parameters between the two oxygen subshells around the Zr atoms can be explained by the existence of oxygen displacements perpendicular to the z direction; these mainly affect the second oxygen subshell because of the directional character of the EXAFS DW parameter, in contradiction to the crystallographic value. It is also established that this model is similar to another model having three oxygen subshells, with a 4 + 2 + 2 distribution of atoms, with only one DW parameter for all oxygen subshells. Both models are in good agreement with the crystal structure determined by X-ray diffraction experiments.Fil: Acuña, Leandro Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones Científicas y Técnicas de las Fuerzas Armadas. Centro de Investigaciones en Sólidos; ArgentinaFil: Lamas, Diego Germán. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones Científicas y Técnicas de las Fuerzas Armadas. Centro de Investigaciones en Sólidos; ArgentinaFil: Fuentes, Rodolfo Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones Científicas y Técnicas de las Fuerzas Armadas. Centro de Investigaciones en Sólidos; ArgentinaFil: Fabregas, Ismael Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones Científicas y Técnicas de las Fuerzas Armadas. Centro de Investigaciones en Sólidos; ArgentinaFil: Fantini, Márcia C. A.. Universidade de Sao Paulo; BrasilFil: Craievich, Aldo F.. Universidade de Sao Paulo; BrasilFil: Prado, Rogério J.. Universidade Federal do Mato Grosso do Sul; BrasilWiley Blackwell Publishing, Inc2010-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/99511Acuña, Leandro Marcelo; Lamas, Diego Germán; Fuentes, Rodolfo Oscar; Fabregas, Ismael Oscar; Fantini, Márcia C. A.; et al.; Local atomic structure in tetragonal pure ZrO2 nanopowders; Wiley Blackwell Publishing, Inc; Journal Of Applied Crystallography; 43; 2; 4-2010; 227-2360021-8898CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S0021889809054983info:eu-repo/semantics/altIdentifier/doi/10.1107/S0021889809054983info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:48:24Zoai:ri.conicet.gov.ar:11336/99511instacron: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:34982025-09-03 09:48:25.183CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Local atomic structure in tetragonal pure ZrO2 nanopowders
title Local atomic structure in tetragonal pure ZrO2 nanopowders
spellingShingle Local atomic structure in tetragonal pure ZrO2 nanopowders
Acuña, Leandro Marcelo
ZIRCONIA
title_short Local atomic structure in tetragonal pure ZrO2 nanopowders
title_full Local atomic structure in tetragonal pure ZrO2 nanopowders
title_fullStr Local atomic structure in tetragonal pure ZrO2 nanopowders
title_full_unstemmed Local atomic structure in tetragonal pure ZrO2 nanopowders
title_sort Local atomic structure in tetragonal pure ZrO2 nanopowders
dc.creator.none.fl_str_mv Acuña, Leandro Marcelo
Lamas, Diego Germán
Fuentes, Rodolfo Oscar
Fabregas, Ismael Oscar
Fantini, Márcia C. A.
Craievich, Aldo F.
Prado, Rogério J.
author Acuña, Leandro Marcelo
author_facet Acuña, Leandro Marcelo
Lamas, Diego Germán
Fuentes, Rodolfo Oscar
Fabregas, Ismael Oscar
Fantini, Márcia C. A.
Craievich, Aldo F.
Prado, Rogério J.
author_role author
author2 Lamas, Diego Germán
Fuentes, Rodolfo Oscar
Fabregas, Ismael Oscar
Fantini, Márcia C. A.
Craievich, Aldo F.
Prado, Rogério J.
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv ZIRCONIA
topic ZIRCONIA
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The local atomic structures around the Zr atom of pure (undoped) ZrO 2 nanopowders with different average crystallite sizes, ranging from 7 to 40 nm, have been investigated. The nanopowders were synthesized by different wet-chemical routes, but all exhibit the high-temperature tetragonal phase stabilized at room temperature, as established by synchrotron radiation X-ray diffraction. The extended X-ray absorption fine structure (EXAFS) technique was applied to analyze the local structure around the Zr atoms. Several authors have studied this system using the EXAFS technique without obtaining a good agreement between crystallographic and EXAFS data. In this work, it is shown that the local structure of ZrO2 nanopowders can be described by a model consisting of two oxygen subshells (4 + 4 atoms) with different Zr-O distances, in agreement with those independently determined by X-ray diffraction. However, the EXAFS study shows that the second oxygen subshell exhibits a Debye-Waller (DW) parameter much higher than that of the first oxygen subshell, a result that cannot be explained by the crystallographic model accepted for the tetragonal phase of zirconia-based materials. However, as proposed by other authors, the difference in the DW parameters between the two oxygen subshells around the Zr atoms can be explained by the existence of oxygen displacements perpendicular to the z direction; these mainly affect the second oxygen subshell because of the directional character of the EXAFS DW parameter, in contradiction to the crystallographic value. It is also established that this model is similar to another model having three oxygen subshells, with a 4 + 2 + 2 distribution of atoms, with only one DW parameter for all oxygen subshells. Both models are in good agreement with the crystal structure determined by X-ray diffraction experiments.
Fil: Acuña, Leandro Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones Científicas y Técnicas de las Fuerzas Armadas. Centro de Investigaciones en Sólidos; Argentina
Fil: Lamas, Diego Germán. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones Científicas y Técnicas de las Fuerzas Armadas. Centro de Investigaciones en Sólidos; Argentina
Fil: Fuentes, Rodolfo Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones Científicas y Técnicas de las Fuerzas Armadas. Centro de Investigaciones en Sólidos; Argentina
Fil: Fabregas, Ismael Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones Científicas y Técnicas de las Fuerzas Armadas. Centro de Investigaciones en Sólidos; Argentina
Fil: Fantini, Márcia C. A.. Universidade de Sao Paulo; Brasil
Fil: Craievich, Aldo F.. Universidade de Sao Paulo; Brasil
Fil: Prado, Rogério J.. Universidade Federal do Mato Grosso do Sul; Brasil
description The local atomic structures around the Zr atom of pure (undoped) ZrO 2 nanopowders with different average crystallite sizes, ranging from 7 to 40 nm, have been investigated. The nanopowders were synthesized by different wet-chemical routes, but all exhibit the high-temperature tetragonal phase stabilized at room temperature, as established by synchrotron radiation X-ray diffraction. The extended X-ray absorption fine structure (EXAFS) technique was applied to analyze the local structure around the Zr atoms. Several authors have studied this system using the EXAFS technique without obtaining a good agreement between crystallographic and EXAFS data. In this work, it is shown that the local structure of ZrO2 nanopowders can be described by a model consisting of two oxygen subshells (4 + 4 atoms) with different Zr-O distances, in agreement with those independently determined by X-ray diffraction. However, the EXAFS study shows that the second oxygen subshell exhibits a Debye-Waller (DW) parameter much higher than that of the first oxygen subshell, a result that cannot be explained by the crystallographic model accepted for the tetragonal phase of zirconia-based materials. However, as proposed by other authors, the difference in the DW parameters between the two oxygen subshells around the Zr atoms can be explained by the existence of oxygen displacements perpendicular to the z direction; these mainly affect the second oxygen subshell because of the directional character of the EXAFS DW parameter, in contradiction to the crystallographic value. It is also established that this model is similar to another model having three oxygen subshells, with a 4 + 2 + 2 distribution of atoms, with only one DW parameter for all oxygen subshells. Both models are in good agreement with the crystal structure determined by X-ray diffraction experiments.
publishDate 2010
dc.date.none.fl_str_mv 2010-04
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/11336/99511
Acuña, Leandro Marcelo; Lamas, Diego Germán; Fuentes, Rodolfo Oscar; Fabregas, Ismael Oscar; Fantini, Márcia C. A.; et al.; Local atomic structure in tetragonal pure ZrO2 nanopowders; Wiley Blackwell Publishing, Inc; Journal Of Applied Crystallography; 43; 2; 4-2010; 227-236
0021-8898
CONICET Digital
CONICET
url http://hdl.handle.net/11336/99511
identifier_str_mv Acuña, Leandro Marcelo; Lamas, Diego Germán; Fuentes, Rodolfo Oscar; Fabregas, Ismael Oscar; Fantini, Márcia C. A.; et al.; Local atomic structure in tetragonal pure ZrO2 nanopowders; Wiley Blackwell Publishing, Inc; Journal Of Applied Crystallography; 43; 2; 4-2010; 227-236
0021-8898
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S0021889809054983
info:eu-repo/semantics/altIdentifier/doi/10.1107/S0021889809054983
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
application/pdf
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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