Influence of synthesis time on the morphology and properties of CeO2 nanoparticles: an experimental-theoretical study

Detalhes bibliográficos
Autor(a) principal: Oliveira, Regiane Cristina de [UNESP]
Data de Publicação: 2020
Outros Autores: Amoresi, Rafael Aparecido Ciola [UNESP], Marana, Naiara Letícia [UNESP], Zaghete, Maria Aparecida [UNESP], Ponce, Miguel, Chiquito, Adenilson José, Sambrano, Julio Ricardo [UNESP], Longo, Elson [UNESP], Simões, Alexandre Zirpoli [UNESP]
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UNESP
Texto Completo: http://hdl.handle.net/11449/213650
Resumo: Here we combined experimental and theoretical results to correlate the morphological, optical, and electronic properties of cerium oxide (CeO2) prepared by a microwave-assisted hydrothermal method with varying synthesis times. X-ray diffraction confirmed a cubic structure without deleterious phases. Density functional theory simulations confirmed an indirect (K-L) bandgap energy of 2.80 eV, with an electron transition between O-2p and Ce-4f orbitals, which agrees with the value obtained using diffuse reflectance. Raman spectroscopy shows that changing the synthesis times results in samples with different defect densities at a short range. Theoretical calculations confirmed that the deformations and changes in the experimental Raman spectra area result in oxygen displacement; as the displacement decreases, the crystallinity increases, and only one peak was observed. Scanning electron microscopy and high-resolution transmission electron microscopy show changes in the morphologies as the synthesis time varies. For shorter times, sheet and polyhedral morphologies were noted. With time increases, the sheets turn into nanorods and nanowires until the nanowires decrease and cubes are observed. In addition, an initial study regarding the influence of the surface on the electric response of CeO2 was completed. It was observed that the presence of different surface defects ([CeO6·2Vo x ] or [CeO7·Vo x ]) can alter the material resistance.
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spelling Influence of synthesis time on the morphology and properties of CeO2 nanoparticles: an experimental-theoretical studyInfluence of Synthesis Time on the Morphology and Properties of CeO2 Nanoparticles: An Experimental-Theoretical StudyNanopartículasNanoparticleCeO2Here we combined experimental and theoretical results to correlate the morphological, optical, and electronic properties of cerium oxide (CeO2) prepared by a microwave-assisted hydrothermal method with varying synthesis times. X-ray diffraction confirmed a cubic structure without deleterious phases. Density functional theory simulations confirmed an indirect (K-L) bandgap energy of 2.80 eV, with an electron transition between O-2p and Ce-4f orbitals, which agrees with the value obtained using diffuse reflectance. Raman spectroscopy shows that changing the synthesis times results in samples with different defect densities at a short range. Theoretical calculations confirmed that the deformations and changes in the experimental Raman spectra area result in oxygen displacement; as the displacement decreases, the crystallinity increases, and only one peak was observed. Scanning electron microscopy and high-resolution transmission electron microscopy show changes in the morphologies as the synthesis time varies. For shorter times, sheet and polyhedral morphologies were noted. With time increases, the sheets turn into nanorods and nanowires until the nanowires decrease and cubes are observed. In addition, an initial study regarding the influence of the surface on the electric response of CeO2 was completed. It was observed that the presence of different surface defects ([CeO6·2Vo x ] or [CeO7·Vo x ]) can alter the material resistance.Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Laboratório Nacional de Luz Síncrotron (LNLS)Faculty of Engineering of Guaratingueta, São Paulo State University, UNESP− Interdisciplinary Laboratory of Electrochemistry and Ceramics, LIEC - Federal University of Sao Carlos, ̃ UFSCar, Sao CarlosINTEMA - National University of Mar del Plata, Mar del Plata, ArgentinaFAPESP: 2008/57872-1, 2013/07296-2, 2016/07476-9, 2016/25500-4, 2017/19143-7Capes - 001CNPq: 73636/2008-7ACS PublicationsUniversidade Estadual Paulista (Unesp)Oliveira, Regiane Cristina de [UNESP]Amoresi, Rafael Aparecido Ciola [UNESP]Marana, Naiara Letícia [UNESP]Zaghete, Maria Aparecida [UNESP]Ponce, MiguelChiquito, Adenilson JoséSambrano, Julio Ricardo [UNESP]Longo, Elson [UNESP]Simões, Alexandre Zirpoli [UNESP]2021-07-26T20:47:18Z2021-07-26T20:47:18Z2020-07-06info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfOliveira, Regiane C.; Amoresi, Rafael A. C.; Marana, Naiara L.; Zaghete, Maria A.; Ponce, Miguel; Chiquito, Adenilson J.; Sambrano, Julio R.; Longo, Elson; Simões, Alexandre Z.. Influence of synthesis time on the morphology and properties of ceo2 nanoparticles: an experimental-theoretical study. Crystal Growth & Design, Washington, v. 20, p. 5031-5042, 2020.1528-7505http://hdl.handle.net/11449/21365010.1021/acs.cgd.0c001650000-0002-7332-87310000-0002- 7523-60130000-0001-8979-16270000-0002-5867-14430000-0002-0262-77180000-0002-2498-48200000-0002-5217-71450000-0001-8062-77910000-0003-2535-2187enghttp://hdl.handle.net/11449/213643http://hdl.handle.net/11449/213659http://hdl.handle.net/11449/213657http://hdl.handle.net/11449/213656Crystal Growth & Designinfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESP2023-10-24T06:08:54Zoai:repositorio.unesp.br:11449/213650Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462023-10-24T06:08:54Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv Influence of synthesis time on the morphology and properties of CeO2 nanoparticles: an experimental-theoretical study
Influence of Synthesis Time on the Morphology and Properties of CeO2 Nanoparticles: An Experimental-Theoretical Study
title Influence of synthesis time on the morphology and properties of CeO2 nanoparticles: an experimental-theoretical study
spellingShingle Influence of synthesis time on the morphology and properties of CeO2 nanoparticles: an experimental-theoretical study
Oliveira, Regiane Cristina de [UNESP]
Nanopartículas
Nanoparticle
CeO2
title_short Influence of synthesis time on the morphology and properties of CeO2 nanoparticles: an experimental-theoretical study
title_full Influence of synthesis time on the morphology and properties of CeO2 nanoparticles: an experimental-theoretical study
title_fullStr Influence of synthesis time on the morphology and properties of CeO2 nanoparticles: an experimental-theoretical study
title_full_unstemmed Influence of synthesis time on the morphology and properties of CeO2 nanoparticles: an experimental-theoretical study
title_sort Influence of synthesis time on the morphology and properties of CeO2 nanoparticles: an experimental-theoretical study
author Oliveira, Regiane Cristina de [UNESP]
author_facet Oliveira, Regiane Cristina de [UNESP]
Amoresi, Rafael Aparecido Ciola [UNESP]
Marana, Naiara Letícia [UNESP]
Zaghete, Maria Aparecida [UNESP]
Ponce, Miguel
Chiquito, Adenilson José
Sambrano, Julio Ricardo [UNESP]
Longo, Elson [UNESP]
Simões, Alexandre Zirpoli [UNESP]
author_role author
author2 Amoresi, Rafael Aparecido Ciola [UNESP]
Marana, Naiara Letícia [UNESP]
Zaghete, Maria Aparecida [UNESP]
Ponce, Miguel
Chiquito, Adenilson José
Sambrano, Julio Ricardo [UNESP]
Longo, Elson [UNESP]
Simões, Alexandre Zirpoli [UNESP]
author2_role author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Universidade Estadual Paulista (Unesp)
dc.contributor.author.fl_str_mv Oliveira, Regiane Cristina de [UNESP]
Amoresi, Rafael Aparecido Ciola [UNESP]
Marana, Naiara Letícia [UNESP]
Zaghete, Maria Aparecida [UNESP]
Ponce, Miguel
Chiquito, Adenilson José
Sambrano, Julio Ricardo [UNESP]
Longo, Elson [UNESP]
Simões, Alexandre Zirpoli [UNESP]
dc.subject.por.fl_str_mv Nanopartículas
Nanoparticle
CeO2
topic Nanopartículas
Nanoparticle
CeO2
description Here we combined experimental and theoretical results to correlate the morphological, optical, and electronic properties of cerium oxide (CeO2) prepared by a microwave-assisted hydrothermal method with varying synthesis times. X-ray diffraction confirmed a cubic structure without deleterious phases. Density functional theory simulations confirmed an indirect (K-L) bandgap energy of 2.80 eV, with an electron transition between O-2p and Ce-4f orbitals, which agrees with the value obtained using diffuse reflectance. Raman spectroscopy shows that changing the synthesis times results in samples with different defect densities at a short range. Theoretical calculations confirmed that the deformations and changes in the experimental Raman spectra area result in oxygen displacement; as the displacement decreases, the crystallinity increases, and only one peak was observed. Scanning electron microscopy and high-resolution transmission electron microscopy show changes in the morphologies as the synthesis time varies. For shorter times, sheet and polyhedral morphologies were noted. With time increases, the sheets turn into nanorods and nanowires until the nanowires decrease and cubes are observed. In addition, an initial study regarding the influence of the surface on the electric response of CeO2 was completed. It was observed that the presence of different surface defects ([CeO6·2Vo x ] or [CeO7·Vo x ]) can alter the material resistance.
publishDate 2020
dc.date.none.fl_str_mv 2020-07-06
2021-07-26T20:47:18Z
2021-07-26T20:47:18Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv Oliveira, Regiane C.; Amoresi, Rafael A. C.; Marana, Naiara L.; Zaghete, Maria A.; Ponce, Miguel; Chiquito, Adenilson J.; Sambrano, Julio R.; Longo, Elson; Simões, Alexandre Z.. Influence of synthesis time on the morphology and properties of ceo2 nanoparticles: an experimental-theoretical study. Crystal Growth & Design, Washington, v. 20, p. 5031-5042, 2020.
1528-7505
http://hdl.handle.net/11449/213650
10.1021/acs.cgd.0c00165
0000-0002-7332-8731
0000-0002- 7523-6013
0000-0001-8979-1627
0000-0002-5867-1443
0000-0002-0262-7718
0000-0002-2498-4820
0000-0002-5217-7145
0000-0001-8062-7791
0000-0003-2535-2187
identifier_str_mv Oliveira, Regiane C.; Amoresi, Rafael A. C.; Marana, Naiara L.; Zaghete, Maria A.; Ponce, Miguel; Chiquito, Adenilson J.; Sambrano, Julio R.; Longo, Elson; Simões, Alexandre Z.. Influence of synthesis time on the morphology and properties of ceo2 nanoparticles: an experimental-theoretical study. Crystal Growth & Design, Washington, v. 20, p. 5031-5042, 2020.
1528-7505
10.1021/acs.cgd.0c00165
0000-0002-7332-8731
0000-0002- 7523-6013
0000-0001-8979-1627
0000-0002-5867-1443
0000-0002-0262-7718
0000-0002-2498-4820
0000-0002-5217-7145
0000-0001-8062-7791
0000-0003-2535-2187
url http://hdl.handle.net/11449/213650
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv http://hdl.handle.net/11449/213643
http://hdl.handle.net/11449/213659
http://hdl.handle.net/11449/213657
http://hdl.handle.net/11449/213656
Crystal Growth & Design
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv ACS Publications
publisher.none.fl_str_mv ACS Publications
dc.source.none.fl_str_mv reponame:Repositório Institucional da UNESP
instname:Universidade Estadual Paulista (UNESP)
instacron:UNESP
instname_str Universidade Estadual Paulista (UNESP)
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institution UNESP
reponame_str Repositório Institucional da UNESP
collection Repositório Institucional da UNESP
repository.name.fl_str_mv Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)
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