Toward understanding the photocatalytic activity of PbMoO4 powders with predominant (111), (100), (011), and (110) facets. A combined experimental and theoretical study
Autor(a) principal: | |
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Data de Publicação: | 2013 |
Outros Autores: | , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFRN |
Texto Completo: | https://repositorio.ufrn.br/handle/123456789/32129 |
Resumo: | A complementary combination of experimental work and first-principle calculations, based on the density functional theory (DFT) method, has been used to increase our limited understanding of the enhanced photocatalytic activity of PbMoO4 powders with predominant (111), (100), (011), and (110) facets. In this work, PbMoO4 powders were prepared by the coprecipitation method and processed on a hydrothermal reactor at 100 °C/10 min. The variation of different types of modifiers such as acetylacetone (acac) or polyvinylpyrrolidone (PVP) is found to play a crucial role in controlling the particle size and morphology of products and their photocatalytic properties. The structure and morphology of these crystals were characterized by X-ray diffraction (XRD), micro-Raman (MR) spectroscopy, field-emission gun scanning electron microscopy (FEG-SEM), and ultraviolet visible (UV–vis) absorption spectroscopy. Furthermore, the as-synthesized PbMoO4 micro-octahedrons without the presence of the (001) surface exhibit enhanced activity for the photodegradation of rhodamine B (RhB) under ultraviolet–visible light irradiation. On the basis of the theoretical and experimental results, we provide a complete assignment of the micro-Raman spectra of PbMoO4, while a growth mechanism for the formation of PbMoO4 micro-octahedrons was systematically discussed. A schematic illustration of the probable formation of morphologies in the whole of the synthetic process was also proposed, which reveals that the high photocatalytic activity is attributed to the absence of the (001) facet |
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Delmonte, Maurício Roberto BomioTranquilin, Ricardo LuisMotta, Fabiana Villela daPaskocimas, Carlos AlbertoNascimento, Rubens Maribondo doGracia, LourdesAndres, JuanSilva, Elson Longo da2021-04-09T18:05:41Z2021-04-09T18:05:41Z2013NASCIMENTO, R. M. ; BOMIO, M.; TRANQUILIN, R.L. ; PASKOCIMAS, C. A. ; MOTTA, F.V.; NASCIMENTO, R. M.; GRACIA, L.; ANDRÉS, J.; LONGO, E.. Towards Understanding the Photocatalytic Activity of PbMoO4 Powders with Predominant (111), (100), (011), and (110) facets. A Combined Experimental and Theoretical Study. Journal of Physical Chemistry C, v. 117, p. 21382-21395, 2013. Disponível em: https://pubs.acs.org/doi/10.1021/jp407416h Acesso em: 18 fev. 2021. https://doi.org/10.1016/j.mssp.2014.05.0271932-74471932-7455https://repositorio.ufrn.br/handle/123456789/3212910.1016/j.mssp.2014.05.027American Chemical SocietyAttribution 3.0 Brazilhttp://creativecommons.org/licenses/by/3.0/br/info:eu-repo/semantics/openAccessCrystalsPhotocatalysisCluster chemistrySurface energyMaterialsToward understanding the photocatalytic activity of PbMoO4 powders with predominant (111), (100), (011), and (110) facets. A combined experimental and theoretical studyinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleA complementary combination of experimental work and first-principle calculations, based on the density functional theory (DFT) method, has been used to increase our limited understanding of the enhanced photocatalytic activity of PbMoO4 powders with predominant (111), (100), (011), and (110) facets. In this work, PbMoO4 powders were prepared by the coprecipitation method and processed on a hydrothermal reactor at 100 °C/10 min. The variation of different types of modifiers such as acetylacetone (acac) or polyvinylpyrrolidone (PVP) is found to play a crucial role in controlling the particle size and morphology of products and their photocatalytic properties. The structure and morphology of these crystals were characterized by X-ray diffraction (XRD), micro-Raman (MR) spectroscopy, field-emission gun scanning electron microscopy (FEG-SEM), and ultraviolet visible (UV–vis) absorption spectroscopy. Furthermore, the as-synthesized PbMoO4 micro-octahedrons without the presence of the (001) surface exhibit enhanced activity for the photodegradation of rhodamine B (RhB) under ultraviolet–visible light irradiation. On the basis of the theoretical and experimental results, we provide a complete assignment of the micro-Raman spectra of PbMoO4, while a growth mechanism for the formation of PbMoO4 micro-octahedrons was systematically discussed. A schematic illustration of the probable formation of morphologies in the whole of the synthetic process was also proposed, which reveals that the high photocatalytic activity is attributed to the absence of the (001) facetengreponame:Repositório Institucional da UFRNinstname:Universidade Federal do Rio Grande do Norte (UFRN)instacron:UFRNORIGINALTowardUnderstanding_PASKOCIMAS_2013.pdfTowardUnderstanding_PASKOCIMAS_2013.pdfapplication/pdf1580757https://repositorio.ufrn.br/bitstream/123456789/32129/1/TowardUnderstanding_PASKOCIMAS_2013.pdf1f24ffdd8260851b1efdf965105d35b2MD51CC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8914https://repositorio.ufrn.br/bitstream/123456789/32129/2/license_rdf4d2950bda3d176f570a9f8b328dfbbefMD52LICENSElicense.txtlicense.txttext/plain; charset=utf-81484https://repositorio.ufrn.br/bitstream/123456789/32129/3/license.txte9597aa2854d128fd968be5edc8a28d9MD53TEXTTowardUnderstanding_PASKOCIMAS_2013.pdf.txtTowardUnderstanding_PASKOCIMAS_2013.pdf.txtExtracted texttext/plain75615https://repositorio.ufrn.br/bitstream/123456789/32129/4/TowardUnderstanding_PASKOCIMAS_2013.pdf.txtb8a0949c8debe7108f390ec7123dea26MD54THUMBNAILTowardUnderstanding_PASKOCIMAS_2013.pdf.jpgTowardUnderstanding_PASKOCIMAS_2013.pdf.jpgGenerated Thumbnailimage/jpeg1889https://repositorio.ufrn.br/bitstream/123456789/32129/5/TowardUnderstanding_PASKOCIMAS_2013.pdf.jpg10e1e71cb9fedbea52fa71320825fc67MD55123456789/321292021-10-04 17:25:55.402oai:https://repositorio.ufrn.br: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Repositório de PublicaçõesPUBhttp://repositorio.ufrn.br/oai/opendoar:2021-10-04T20:25:55Repositório Institucional da UFRN - Universidade Federal do Rio Grande do Norte (UFRN)false |
dc.title.pt_BR.fl_str_mv |
Toward understanding the photocatalytic activity of PbMoO4 powders with predominant (111), (100), (011), and (110) facets. A combined experimental and theoretical study |
title |
Toward understanding the photocatalytic activity of PbMoO4 powders with predominant (111), (100), (011), and (110) facets. A combined experimental and theoretical study |
spellingShingle |
Toward understanding the photocatalytic activity of PbMoO4 powders with predominant (111), (100), (011), and (110) facets. A combined experimental and theoretical study Delmonte, Maurício Roberto Bomio Crystals Photocatalysis Cluster chemistry Surface energy Materials |
title_short |
Toward understanding the photocatalytic activity of PbMoO4 powders with predominant (111), (100), (011), and (110) facets. A combined experimental and theoretical study |
title_full |
Toward understanding the photocatalytic activity of PbMoO4 powders with predominant (111), (100), (011), and (110) facets. A combined experimental and theoretical study |
title_fullStr |
Toward understanding the photocatalytic activity of PbMoO4 powders with predominant (111), (100), (011), and (110) facets. A combined experimental and theoretical study |
title_full_unstemmed |
Toward understanding the photocatalytic activity of PbMoO4 powders with predominant (111), (100), (011), and (110) facets. A combined experimental and theoretical study |
title_sort |
Toward understanding the photocatalytic activity of PbMoO4 powders with predominant (111), (100), (011), and (110) facets. A combined experimental and theoretical study |
author |
Delmonte, Maurício Roberto Bomio |
author_facet |
Delmonte, Maurício Roberto Bomio Tranquilin, Ricardo Luis Motta, Fabiana Villela da Paskocimas, Carlos Alberto Nascimento, Rubens Maribondo do Gracia, Lourdes Andres, Juan Silva, Elson Longo da |
author_role |
author |
author2 |
Tranquilin, Ricardo Luis Motta, Fabiana Villela da Paskocimas, Carlos Alberto Nascimento, Rubens Maribondo do Gracia, Lourdes Andres, Juan Silva, Elson Longo da |
author2_role |
author author author author author author author |
dc.contributor.author.fl_str_mv |
Delmonte, Maurício Roberto Bomio Tranquilin, Ricardo Luis Motta, Fabiana Villela da Paskocimas, Carlos Alberto Nascimento, Rubens Maribondo do Gracia, Lourdes Andres, Juan Silva, Elson Longo da |
dc.subject.por.fl_str_mv |
Crystals Photocatalysis Cluster chemistry Surface energy Materials |
topic |
Crystals Photocatalysis Cluster chemistry Surface energy Materials |
description |
A complementary combination of experimental work and first-principle calculations, based on the density functional theory (DFT) method, has been used to increase our limited understanding of the enhanced photocatalytic activity of PbMoO4 powders with predominant (111), (100), (011), and (110) facets. In this work, PbMoO4 powders were prepared by the coprecipitation method and processed on a hydrothermal reactor at 100 °C/10 min. The variation of different types of modifiers such as acetylacetone (acac) or polyvinylpyrrolidone (PVP) is found to play a crucial role in controlling the particle size and morphology of products and their photocatalytic properties. The structure and morphology of these crystals were characterized by X-ray diffraction (XRD), micro-Raman (MR) spectroscopy, field-emission gun scanning electron microscopy (FEG-SEM), and ultraviolet visible (UV–vis) absorption spectroscopy. Furthermore, the as-synthesized PbMoO4 micro-octahedrons without the presence of the (001) surface exhibit enhanced activity for the photodegradation of rhodamine B (RhB) under ultraviolet–visible light irradiation. On the basis of the theoretical and experimental results, we provide a complete assignment of the micro-Raman spectra of PbMoO4, while a growth mechanism for the formation of PbMoO4 micro-octahedrons was systematically discussed. A schematic illustration of the probable formation of morphologies in the whole of the synthetic process was also proposed, which reveals that the high photocatalytic activity is attributed to the absence of the (001) facet |
publishDate |
2013 |
dc.date.issued.fl_str_mv |
2013 |
dc.date.accessioned.fl_str_mv |
2021-04-09T18:05:41Z |
dc.date.available.fl_str_mv |
2021-04-09T18:05:41Z |
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.citation.fl_str_mv |
NASCIMENTO, R. M. ; BOMIO, M.; TRANQUILIN, R.L. ; PASKOCIMAS, C. A. ; MOTTA, F.V.; NASCIMENTO, R. M.; GRACIA, L.; ANDRÉS, J.; LONGO, E.. Towards Understanding the Photocatalytic Activity of PbMoO4 Powders with Predominant (111), (100), (011), and (110) facets. A Combined Experimental and Theoretical Study. Journal of Physical Chemistry C, v. 117, p. 21382-21395, 2013. Disponível em: https://pubs.acs.org/doi/10.1021/jp407416h Acesso em: 18 fev. 2021. https://doi.org/10.1016/j.mssp.2014.05.027 |
dc.identifier.uri.fl_str_mv |
https://repositorio.ufrn.br/handle/123456789/32129 |
dc.identifier.issn.none.fl_str_mv |
1932-7447 1932-7455 |
dc.identifier.doi.none.fl_str_mv |
10.1016/j.mssp.2014.05.027 |
identifier_str_mv |
NASCIMENTO, R. M. ; BOMIO, M.; TRANQUILIN, R.L. ; PASKOCIMAS, C. A. ; MOTTA, F.V.; NASCIMENTO, R. M.; GRACIA, L.; ANDRÉS, J.; LONGO, E.. Towards Understanding the Photocatalytic Activity of PbMoO4 Powders with Predominant (111), (100), (011), and (110) facets. A Combined Experimental and Theoretical Study. Journal of Physical Chemistry C, v. 117, p. 21382-21395, 2013. Disponível em: https://pubs.acs.org/doi/10.1021/jp407416h Acesso em: 18 fev. 2021. https://doi.org/10.1016/j.mssp.2014.05.027 1932-7447 1932-7455 10.1016/j.mssp.2014.05.027 |
url |
https://repositorio.ufrn.br/handle/123456789/32129 |
dc.language.iso.fl_str_mv |
eng |
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eng |
dc.rights.driver.fl_str_mv |
Attribution 3.0 Brazil http://creativecommons.org/licenses/by/3.0/br/ info:eu-repo/semantics/openAccess |
rights_invalid_str_mv |
Attribution 3.0 Brazil http://creativecommons.org/licenses/by/3.0/br/ |
eu_rights_str_mv |
openAccess |
dc.publisher.none.fl_str_mv |
American Chemical Society |
publisher.none.fl_str_mv |
American Chemical Society |
dc.source.none.fl_str_mv |
reponame:Repositório Institucional da UFRN instname:Universidade Federal do Rio Grande do Norte (UFRN) instacron:UFRN |
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Universidade Federal do Rio Grande do Norte (UFRN) |
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UFRN |
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UFRN |
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Repositório Institucional da UFRN |
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Repositório Institucional da UFRN |
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