Nickel-doped zinc oxide thin films made by spray pyrolysis: experimental characterization and theoretical analyses

Autores
Bolino, M.; Richard, Diego; Tejerina, Matías Rubén
Año de publicación
2023
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A study of ZnO-based ceramic films prepared by the spray-pyrolysis technique is presented. Pure and Ni-doped thin film samples were deposited as a coating on a glass substrate and experimentally characterized using scanning electron and atomic force microscopies, X-ray diffraction, and UV-vis-NIR spectroscopy. The morphologic, crystallographic, and optical properties were analyzed. Structural and electronic properties were compared to predictions obtained from computational calculations based on the density functional theory plus U approach (DFT+U). All these simulations provided additional data that could be used as a reference for material modeling and a better understanding of the experimental results. It was found that spray pyrolysis can be used to produce thin film ceramic samples (∼300 nm) with low amounts (<5%) of Ni impurities substitutionally located at the cationic sites of the ZnO wurtzite host structure. The results of this investigation showed that an experimental and theoretical study aided in a better characterization of the thin films, and helped to outline a more robust model of the samples.
Fil: Bolino, M.. Universidad Nacional de La Plata; Argentina
Fil: Richard, Diego. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Tecnología de Recursos Minerales y Cerámica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Tecnología de Recursos Minerales y Cerámica; Argentina
Fil: Tejerina, Matías Rubén. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Tecnología de Recursos Minerales y Cerámica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Tecnología de Recursos Minerales y Cerámica; Argentina
Materia
DFT+U
DOPED CERAMICS
THIN FILMS
TRANSMITTANCE
ZNO
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/227203
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/227203
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Nickel-doped zinc oxide thin films made by spray pyrolysis: experimental characterization and theoretical analysesBolino, M.Richard, DiegoTejerina, Matías RubénDFT+UDOPED CERAMICSTHIN FILMSTRANSMITTANCEZNOhttps://purl.org/becyt/ford/2.5https://purl.org/becyt/ford/2A study of ZnO-based ceramic films prepared by the spray-pyrolysis technique is presented. Pure and Ni-doped thin film samples were deposited as a coating on a glass substrate and experimentally characterized using scanning electron and atomic force microscopies, X-ray diffraction, and UV-vis-NIR spectroscopy. The morphologic, crystallographic, and optical properties were analyzed. Structural and electronic properties were compared to predictions obtained from computational calculations based on the density functional theory plus U approach (DFT+U). All these simulations provided additional data that could be used as a reference for material modeling and a better understanding of the experimental results. It was found that spray pyrolysis can be used to produce thin film ceramic samples (∼300 nm) with low amounts (<5%) of Ni impurities substitutionally located at the cationic sites of the ZnO wurtzite host structure. The results of this investigation showed that an experimental and theoretical study aided in a better characterization of the thin films, and helped to outline a more robust model of the samples.Fil: Bolino, M.. Universidad Nacional de La Plata; ArgentinaFil: Richard, Diego. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Tecnología de Recursos Minerales y Cerámica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Tecnología de Recursos Minerales y Cerámica; ArgentinaFil: Tejerina, Matías Rubén. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Tecnología de Recursos Minerales y Cerámica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Tecnología de Recursos Minerales y Cerámica; ArgentinaAssociação Brasileira de Cerâmica2023-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/227203Bolino, M.; Richard, Diego; Tejerina, Matías Rubén; Nickel-doped zinc oxide thin films made by spray pyrolysis: experimental characterization and theoretical analyses; Associação Brasileira de Cerâmica; Ceramica; 69; 390; 7-2023; 107-1140366-69131678-4553CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0366-69132023000200107&tlng=eninfo:eu-repo/semantics/altIdentifier/doi/10.1590/0366-69132023693903431info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T12:05:48Zoai:ri.conicet.gov.ar:11336/227203instacron: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:34982025-10-22 12:05:48.898CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Nickel-doped zinc oxide thin films made by spray pyrolysis: experimental characterization and theoretical analyses
title Nickel-doped zinc oxide thin films made by spray pyrolysis: experimental characterization and theoretical analyses
spellingShingle Nickel-doped zinc oxide thin films made by spray pyrolysis: experimental characterization and theoretical analyses
Bolino, M.
DFT+U
DOPED CERAMICS
THIN FILMS
TRANSMITTANCE
ZNO
title_short Nickel-doped zinc oxide thin films made by spray pyrolysis: experimental characterization and theoretical analyses
title_full Nickel-doped zinc oxide thin films made by spray pyrolysis: experimental characterization and theoretical analyses
title_fullStr Nickel-doped zinc oxide thin films made by spray pyrolysis: experimental characterization and theoretical analyses
title_full_unstemmed Nickel-doped zinc oxide thin films made by spray pyrolysis: experimental characterization and theoretical analyses
title_sort Nickel-doped zinc oxide thin films made by spray pyrolysis: experimental characterization and theoretical analyses
dc.creator.none.fl_str_mv Bolino, M.
Richard, Diego
Tejerina, Matías Rubén
author Bolino, M.
author_facet Bolino, M.
Richard, Diego
Tejerina, Matías Rubén
author_role author
author2 Richard, Diego
Tejerina, Matías Rubén
author2_role author
author
dc.subject.none.fl_str_mv DFT+U
DOPED CERAMICS
THIN FILMS
TRANSMITTANCE
ZNO
topic DFT+U
DOPED CERAMICS
THIN FILMS
TRANSMITTANCE
ZNO
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.5
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv A study of ZnO-based ceramic films prepared by the spray-pyrolysis technique is presented. Pure and Ni-doped thin film samples were deposited as a coating on a glass substrate and experimentally characterized using scanning electron and atomic force microscopies, X-ray diffraction, and UV-vis-NIR spectroscopy. The morphologic, crystallographic, and optical properties were analyzed. Structural and electronic properties were compared to predictions obtained from computational calculations based on the density functional theory plus U approach (DFT+U). All these simulations provided additional data that could be used as a reference for material modeling and a better understanding of the experimental results. It was found that spray pyrolysis can be used to produce thin film ceramic samples (∼300 nm) with low amounts (<5%) of Ni impurities substitutionally located at the cationic sites of the ZnO wurtzite host structure. The results of this investigation showed that an experimental and theoretical study aided in a better characterization of the thin films, and helped to outline a more robust model of the samples.
Fil: Bolino, M.. Universidad Nacional de La Plata; Argentina
Fil: Richard, Diego. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Tecnología de Recursos Minerales y Cerámica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Tecnología de Recursos Minerales y Cerámica; Argentina
Fil: Tejerina, Matías Rubén. Provincia de Buenos Aires. Gobernación. Comisión de Investigaciones Científicas. Centro de Tecnología de Recursos Minerales y Cerámica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Tecnología de Recursos Minerales y Cerámica; Argentina
description A study of ZnO-based ceramic films prepared by the spray-pyrolysis technique is presented. Pure and Ni-doped thin film samples were deposited as a coating on a glass substrate and experimentally characterized using scanning electron and atomic force microscopies, X-ray diffraction, and UV-vis-NIR spectroscopy. The morphologic, crystallographic, and optical properties were analyzed. Structural and electronic properties were compared to predictions obtained from computational calculations based on the density functional theory plus U approach (DFT+U). All these simulations provided additional data that could be used as a reference for material modeling and a better understanding of the experimental results. It was found that spray pyrolysis can be used to produce thin film ceramic samples (∼300 nm) with low amounts (<5%) of Ni impurities substitutionally located at the cationic sites of the ZnO wurtzite host structure. The results of this investigation showed that an experimental and theoretical study aided in a better characterization of the thin films, and helped to outline a more robust model of the samples.
publishDate 2023
dc.date.none.fl_str_mv 2023-07
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/11336/227203
Bolino, M.; Richard, Diego; Tejerina, Matías Rubén; Nickel-doped zinc oxide thin films made by spray pyrolysis: experimental characterization and theoretical analyses; Associação Brasileira de Cerâmica; Ceramica; 69; 390; 7-2023; 107-114
0366-6913
1678-4553
CONICET Digital
CONICET
url http://hdl.handle.net/11336/227203
identifier_str_mv Bolino, M.; Richard, Diego; Tejerina, Matías Rubén; Nickel-doped zinc oxide thin films made by spray pyrolysis: experimental characterization and theoretical analyses; Associação Brasileira de Cerâmica; Ceramica; 69; 390; 7-2023; 107-114
0366-6913
1678-4553
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://www.scielo.br/scielo.php?script=sci_arttext&pid=S0366-69132023000200107&tlng=en
info:eu-repo/semantics/altIdentifier/doi/10.1590/0366-69132023693903431
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Associação Brasileira de Cerâmica
publisher.none.fl_str_mv Associação Brasileira de Cerâmica
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
_version_ 1846782411595055104
score 12.982451

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