Study of structural and optical properties of CaMoO4 nanoparticles synthesized by the microwave-assisted solvothermal method

Detalhes bibliográficos
Autor(a) principal: Botelho, G.
Data de Publicação: 2016
Outros Autores: Nogueira, I. C., Moraes, E., Longo, E. [UNESP]
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UNESP
Texto Completo: http://dx.doi.org/10.1016/j.matchemphys.2016.08.008
http://hdl.handle.net/11449/178396
Resumo: Calcium molybdate (CaMoO4) nanoparticles were synthesized by using a rapid assisted-microwave solvothermal method. X-ray diffraction measurements, Fourier transform Raman and Fourier transform infrared spectroscopies, revealed that the samples all have a scheelite-type tetragonal structure. In addition, the data obtained from the Rietveld refinements revealed distortions of the [Ca[sbnd]O] and [Mo[sbnd]O] bonds that led, in turn, to distortions of the [CaO8] and [MoO4] clusters. The presence of irregular spherical-like CaMoO4 nanoparticles and the corresponding crystallographic arrangement were confirmed and determined via transmission electron microscopy and high resolution transmission electron microscopy, respectively. First-principles quantum mechanical calculations based on the density functional theory at the B3LYP level were employed in order to understand the band structure and density of states of CaMoO4 in the excited singlet and triplet states. Furthermore, the optical properties were investigated by performing ultraviolet–visible spectroscopy and photoluminescence (PL) measurements. Maximum PL emission of CaMoO4 powders was detected in the green-region wavelength of the electromagnetic spectrum; this emission was attributed to the distorted [MoO4] clusters.
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spelling Study of structural and optical properties of CaMoO4 nanoparticles synthesized by the microwave-assisted solvothermal methodNanostructuresPhotoluminescence spectroscopy and optical propertiesPrecipitationCalcium molybdate (CaMoO4) nanoparticles were synthesized by using a rapid assisted-microwave solvothermal method. X-ray diffraction measurements, Fourier transform Raman and Fourier transform infrared spectroscopies, revealed that the samples all have a scheelite-type tetragonal structure. In addition, the data obtained from the Rietveld refinements revealed distortions of the [Ca[sbnd]O] and [Mo[sbnd]O] bonds that led, in turn, to distortions of the [CaO8] and [MoO4] clusters. The presence of irregular spherical-like CaMoO4 nanoparticles and the corresponding crystallographic arrangement were confirmed and determined via transmission electron microscopy and high resolution transmission electron microscopy, respectively. First-principles quantum mechanical calculations based on the density functional theory at the B3LYP level were employed in order to understand the band structure and density of states of CaMoO4 in the excited singlet and triplet states. Furthermore, the optical properties were investigated by performing ultraviolet–visible spectroscopy and photoluminescence (PL) measurements. Maximum PL emission of CaMoO4 powders was detected in the green-region wavelength of the electromagnetic spectrum; this emission was attributed to the distorted [MoO4] clusters.Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)INCTMN-UFSCar Universidade Federal de São Carlos, P.O. Box 676Instituto Federal do Maranhão PPG em Engenharia de MateriaisINCTMN-UNESP Universidade Estadual Paulista, P.O. Box 355, CEPINCTMN-UNESP Universidade Estadual Paulista, P.O. Box 355, CEPCNPq: 147001/2013-7FAPESP: 2013/07296-2CNPq: 573636/2008-7Universidade Federal de São Carlos (UFSCar)PPG em Engenharia de MateriaisUniversidade Estadual Paulista (Unesp)Botelho, G.Nogueira, I. C.Moraes, E.Longo, E. [UNESP]2018-12-11T17:30:06Z2018-12-11T17:30:06Z2016-11-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article110-120application/pdfhttp://dx.doi.org/10.1016/j.matchemphys.2016.08.008Materials Chemistry and Physics, v. 183, p. 110-120.0254-0584http://hdl.handle.net/11449/17839610.1016/j.matchemphys.2016.08.0082-s2.0-84994318578Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengMaterials Chemistry and Physics0,615info:eu-repo/semantics/openAccess2025-05-28T08:08:19Zoai:repositorio.unesp.br:11449/178396Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestrepositoriounesp@unesp.bropendoar:29462025-05-28T08:08:19Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv Study of structural and optical properties of CaMoO4 nanoparticles synthesized by the microwave-assisted solvothermal method
title Study of structural and optical properties of CaMoO4 nanoparticles synthesized by the microwave-assisted solvothermal method
spellingShingle Study of structural and optical properties of CaMoO4 nanoparticles synthesized by the microwave-assisted solvothermal method
Botelho, G.
Nanostructures
Photoluminescence spectroscopy and optical properties
Precipitation
title_short Study of structural and optical properties of CaMoO4 nanoparticles synthesized by the microwave-assisted solvothermal method
title_full Study of structural and optical properties of CaMoO4 nanoparticles synthesized by the microwave-assisted solvothermal method
title_fullStr Study of structural and optical properties of CaMoO4 nanoparticles synthesized by the microwave-assisted solvothermal method
title_full_unstemmed Study of structural and optical properties of CaMoO4 nanoparticles synthesized by the microwave-assisted solvothermal method
title_sort Study of structural and optical properties of CaMoO4 nanoparticles synthesized by the microwave-assisted solvothermal method
author Botelho, G.
author_facet Botelho, G.
Nogueira, I. C.
Moraes, E.
Longo, E. [UNESP]
author_role author
author2 Nogueira, I. C.
Moraes, E.
Longo, E. [UNESP]
author2_role author
author
author
dc.contributor.none.fl_str_mv Universidade Federal de São Carlos (UFSCar)
PPG em Engenharia de Materiais
Universidade Estadual Paulista (Unesp)
dc.contributor.author.fl_str_mv Botelho, G.
Nogueira, I. C.
Moraes, E.
Longo, E. [UNESP]
dc.subject.por.fl_str_mv Nanostructures
Photoluminescence spectroscopy and optical properties
Precipitation
topic Nanostructures
Photoluminescence spectroscopy and optical properties
Precipitation
description Calcium molybdate (CaMoO4) nanoparticles were synthesized by using a rapid assisted-microwave solvothermal method. X-ray diffraction measurements, Fourier transform Raman and Fourier transform infrared spectroscopies, revealed that the samples all have a scheelite-type tetragonal structure. In addition, the data obtained from the Rietveld refinements revealed distortions of the [Ca[sbnd]O] and [Mo[sbnd]O] bonds that led, in turn, to distortions of the [CaO8] and [MoO4] clusters. The presence of irregular spherical-like CaMoO4 nanoparticles and the corresponding crystallographic arrangement were confirmed and determined via transmission electron microscopy and high resolution transmission electron microscopy, respectively. First-principles quantum mechanical calculations based on the density functional theory at the B3LYP level were employed in order to understand the band structure and density of states of CaMoO4 in the excited singlet and triplet states. Furthermore, the optical properties were investigated by performing ultraviolet–visible spectroscopy and photoluminescence (PL) measurements. Maximum PL emission of CaMoO4 powders was detected in the green-region wavelength of the electromagnetic spectrum; this emission was attributed to the distorted [MoO4] clusters.
publishDate 2016
dc.date.none.fl_str_mv 2016-11-01
2018-12-11T17:30:06Z
2018-12-11T17:30:06Z
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/10.1016/j.matchemphys.2016.08.008
Materials Chemistry and Physics, v. 183, p. 110-120.
0254-0584
http://hdl.handle.net/11449/178396
10.1016/j.matchemphys.2016.08.008
2-s2.0-84994318578
url http://dx.doi.org/10.1016/j.matchemphys.2016.08.008
http://hdl.handle.net/11449/178396
identifier_str_mv Materials Chemistry and Physics, v. 183, p. 110-120.
0254-0584
10.1016/j.matchemphys.2016.08.008
2-s2.0-84994318578
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Materials Chemistry and Physics
0,615
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 110-120
application/pdf
dc.source.none.fl_str_mv Scopus
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 repositoriounesp@unesp.br
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