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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/227203
Ver los metadatos del registro completo
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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 Técnicas2025-09-29T10:33:12Zoai: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:34982025-09-29 10:33:12.529CONICET 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 |
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1844614347361353728 |
score |
13.070432 |