Influence of Synthesis Time on the Morphology and Properties of CeO2 Nanoparticles: An Experimental-Theoretical Study
Autor(a) principal: | |
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Data de Publicação: | 2020 |
Outros Autores: | , , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.1021/acs.cgd.0c00165 http://hdl.handle.net/11449/197889 |
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 center dot 2V(o)(x)] or [CeO7 center dot V-o(x)]) can alter the material resistance. |
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Influence of Synthesis Time on the Morphology and Properties of CeO2 Nanoparticles: An Experimental-Theoretical StudyHere 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 center dot 2V(o)(x)] or [CeO7 center dot V-o(x)]) can alter the material resistance.Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)LNLS - Brazilian Synchrotron Light Laboratory, CNPEM/MCTICCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)Sao Paulo State Univ UNESP, Fac Engn Guaratingueta, Guaratingueta, SP, BrazilSao Paulo State Univ UNESP, Modeling & Mol Simulat Grp, Guaratingueta, SP, BrazilSao Paulo State Univ UNESP, Modeling & Mol Simulat Grp, Bauru, SP, BrazilSao Paulo State Univ UNESP, Chem Inst, LIEC, Interdisciplinary Lab Electrochem & Ceram, Araraquara, SP, BrazilINTEMA Natl Univ Mar del Plata, Res Inst Mat Sci & Technol, Mar Del Plata, ArgentinaUniv Fed Sao Carlos, UFSCar, Dept Phys, NanOLaB, Sao Carlos, SP, BrazilUniv Fed Sao Carlos, UFSCar, LIEC, Interdisciplinary Lab Electrochem & Ceram, Sao Carlos, SP, BrazilSao Paulo State Univ UNESP, Fac Engn Guaratingueta, Guaratingueta, SP, BrazilSao Paulo State Univ UNESP, Modeling & Mol Simulat Grp, Guaratingueta, SP, BrazilSao Paulo State Univ UNESP, Modeling & Mol Simulat Grp, Bauru, SP, BrazilSao Paulo State Univ UNESP, Chem Inst, LIEC, Interdisciplinary Lab Electrochem & Ceram, Araraquara, SP, BrazilFAPESP: 2008/57872-1FAPESP: 2013/07296-2FAPESP: 2016/07476-9FAPESP: 2016/25500-4FAPESP: 2017/19143-7CNPq: 573636/2008-7LNLS - Brazilian Synchrotron Light Laboratory, CNPEM/MCTIC: LMF - 24859CAPES: 001Amer Chemical SocUniversidade Estadual Paulista (Unesp)INTEMA Natl Univ Mar del PlataUniversidade Federal de São Carlos (UFSCar)Oliveira, Regiane Cristina de [UNESP]Ciola Amoresi, Rafael Aparecido [UNESP]Marana, Naiara Leticia [UNESP]Zaghete, Maria Aparecida [UNESP]Ponce, MiguelChiquito, Adenilson JoseSambrano, Julio Ricardo [UNESP]Longo, ElsonSimoes, Alexandre Zirpoli [UNESP]2020-12-11T23:33:41Z2020-12-11T23:33:41Z2020-08-05info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article5031-5042http://dx.doi.org/10.1021/acs.cgd.0c00165Crystal Growth & Design. Washington: Amer Chemical Soc, v. 20, n. 8, p. 5031-5042, 2020.1528-7483http://hdl.handle.net/11449/19788910.1021/acs.cgd.0c00165WOS:000558791100022Web of Sciencereponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengCrystal Growth & Designinfo:eu-repo/semantics/openAccess2021-10-23T00:00:16Zoai:repositorio.unesp.br:11449/197889Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462021-10-23T00:00:16Repositório 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 |
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] |
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] Ciola Amoresi, Rafael Aparecido [UNESP] Marana, Naiara Leticia [UNESP] Zaghete, Maria Aparecida [UNESP] Ponce, Miguel Chiquito, Adenilson Jose Sambrano, Julio Ricardo [UNESP] Longo, Elson Simoes, Alexandre Zirpoli [UNESP] |
author_role |
author |
author2 |
Ciola Amoresi, Rafael Aparecido [UNESP] Marana, Naiara Leticia [UNESP] Zaghete, Maria Aparecida [UNESP] Ponce, Miguel Chiquito, Adenilson Jose Sambrano, Julio Ricardo [UNESP] Longo, Elson Simoes, Alexandre Zirpoli [UNESP] |
author2_role |
author author author author author author author author |
dc.contributor.none.fl_str_mv |
Universidade Estadual Paulista (Unesp) INTEMA Natl Univ Mar del Plata Universidade Federal de São Carlos (UFSCar) |
dc.contributor.author.fl_str_mv |
Oliveira, Regiane Cristina de [UNESP] Ciola Amoresi, Rafael Aparecido [UNESP] Marana, Naiara Leticia [UNESP] Zaghete, Maria Aparecida [UNESP] Ponce, Miguel Chiquito, Adenilson Jose Sambrano, Julio Ricardo [UNESP] Longo, Elson Simoes, Alexandre Zirpoli [UNESP] |
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 center dot 2V(o)(x)] or [CeO7 center dot V-o(x)]) can alter the material resistance. |
publishDate |
2020 |
dc.date.none.fl_str_mv |
2020-12-11T23:33:41Z 2020-12-11T23:33:41Z 2020-08-05 |
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 |
http://dx.doi.org/10.1021/acs.cgd.0c00165 Crystal Growth & Design. Washington: Amer Chemical Soc, v. 20, n. 8, p. 5031-5042, 2020. 1528-7483 http://hdl.handle.net/11449/197889 10.1021/acs.cgd.0c00165 WOS:000558791100022 |
url |
http://dx.doi.org/10.1021/acs.cgd.0c00165 http://hdl.handle.net/11449/197889 |
identifier_str_mv |
Crystal Growth & Design. Washington: Amer Chemical Soc, v. 20, n. 8, p. 5031-5042, 2020. 1528-7483 10.1021/acs.cgd.0c00165 WOS:000558791100022 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
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 |
5031-5042 |
dc.publisher.none.fl_str_mv |
Amer Chemical Soc |
publisher.none.fl_str_mv |
Amer Chemical Soc |
dc.source.none.fl_str_mv |
Web of Science reponame:Repositório Institucional da UNESP instname:Universidade Estadual Paulista (UNESP) instacron:UNESP |
instname_str |
Universidade Estadual Paulista (UNESP) |
instacron_str |
UNESP |
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) |
repository.mail.fl_str_mv |
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1797789369468190720 |