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; Tranquilin, Ricardo Luis; Motta, Fabiana Villela da; Paskocimas, Carlos Alberto; Nascimento, Rubens Maribondo do; Gracia, Lourdes; Andres, Juan; Silva, Elson Longo da

Toward understanding the photocatalytic activity of PbMoO4 powders with predominant (111), (100), (011), and (110) facets. A combined experimental and theoretical study

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dc.contributor.author	Delmonte, Maurício Roberto Bomio
dc.contributor.author	Tranquilin, Ricardo Luis
dc.contributor.author	Motta, Fabiana Villela da
dc.contributor.author	Paskocimas, Carlos Alberto
dc.contributor.author	Nascimento, Rubens Maribondo do
dc.contributor.author	Gracia, Lourdes
dc.contributor.author	Andres, Juan
dc.contributor.author	Silva, Elson Longo da
dc.date.accessioned	2021-04-09T18:05:41Z
dc.date.available	2021-04-09T18:05:41Z
dc.date.issued	2013
dc.description.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	pt_BR
dc.identifier.citation	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	pt_BR
dc.identifier.doi	10.1016/j.mssp.2014.05.027
dc.identifier.issn	1932-7447
dc.identifier.issn	1932-7455
dc.identifier.uri	https://repositorio.ufrn.br/handle/123456789/32129
dc.language	en	pt_BR
dc.publisher	American Chemical Society	pt_BR
dc.rights	Attribution 3.0 Brazil	*
dc.rights.uri	http://creativecommons.org/licenses/by/3.0/br/	*
dc.subject	Crystals	pt_BR
dc.subject	Photocatalysis	pt_BR
dc.subject	Cluster chemistry	pt_BR
dc.subject	Surface energy	pt_BR
dc.subject	Materials	pt_BR
dc.title	Toward understanding the photocatalytic activity of PbMoO4 powders with predominant (111), (100), (011), and (110) facets. A combined experimental and theoretical study	pt_BR
dc.type	article	pt_BR