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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/99511
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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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1842268922860011520 |
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13.13397 |