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dc.contributor.authorGouveia, Amanda
dc.contributor.authorBellucci, Gustavo Venancio
dc.contributor.authorRibeiro , Lara Kelly
dc.contributor.authorAssis, Marcelo de
dc.contributor.authorRosa, Ieda
dc.contributor.authorLongo, Elson
dc.contributor.authorAndres, Juan
dc.contributor.authorSan-Miguel, Miguel A.
dc.date.accessioned2022-10-10T12:24:07Z
dc.date.available2022-10-10T12:24:07Z
dc.date.issued2022-04-11
dc.identifier.citationGouveia, A. F., Bellucci, G. V., Ribeiro, L. K., Assis, M., Rosa, I. L. V., Longo, E., Andrés, J., & San-Miguel, M. A. (2022). Surfactant effects in the morphology and the photocatalytic activity of the BaMoO4 crystals. Eclética Química Journal, 47(1SI), 80–89. https://doi.org/10.26850/1678-4618eqj.v47.1SI.2022.p80-89ca_CA
dc.identifier.urihttp://hdl.handle.net/10234/200309
dc.description.abstractThis paper discloses the effect of the surfactant sodium dodecyl sulfate (SDS) in the morphology and the photocatalytic activity of BaMoO4 crystals. Experimental techniques were applied to study the order-disorder degree of the samples. First-principles calculations were performed at density functional theory level with the B3LYP hybrid functional. The morphologies were investigated by field emission scanning electron microscopy, and the theoretical crystal shapes were obtained through the Wulff construction. The photocatalytic activity efficiency of the BaMoO4 crystals was tested against the Rhodamine B (RhB) dye. In this paper, BaMoO4 synthesized with SDS by the coprecipitation method presented a monophasic crystal with a disordered structure. In addition, the presence of this surfactant generated pores on the surfaces of the material, and those pores were responsible for the appearance of the adsorptive ability enhancing the adsorption process of the RhB dye in the dark, in absence of ultraviolet light.ca_CA
dc.format.extent10 p.ca_CA
dc.format.mimetypeapplication/pdfca_CA
dc.language.isoengca_CA
dc.publisherSao Paulo State University. Institute of Chemistryca_CA
dc.relation.isPartOfEclética Química Journal, 47(1SI), 2022ca_CA
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/ca_CA
dc.subjectDFT calculationsca_CA
dc.subjectRational design of materialsca_CA
dc.subjectBarium molybdateca_CA
dc.subjectSurfactant-mediated morphologyca_CA
dc.subjectPhotocatalytic activityca_CA
dc.titleSurfactant effects in the morphology and the photocatalytic activity of the BaMoO4 crystalsca_CA
dc.typeinfo:eu-repo/semantics/articleca_CA
dc.identifier.doihttps://doi.org/10.26850/1678-4618eqj.v47.1SI.2022.p80-89
dc.rights.accessRightsinfo:eu-repo/semantics/openAccessca_CA
dc.type.versioninfo:eu-repo/semantics/publishedVersionca_CA
project.funder.nameCentro Nacional de Processamento de Alto Desempenho em São Paulo (CENAPAD-SP)ca_CA
project.funder.nameCentro de Computação John David Rogers (CCJDR-UNICAMP)ca_CA
project.funder.nameCENAPAD-RJ (SDumont)ca_CA
project.funder.nameCentro de Desenvolvimento de Materiais Funcionais (CDMF)ca_CA
project.funder.nameUniversitat Jaume Ica_CA
project.funder.nameFAPESPca_CA
project.funder.nameGeneralitat Valencianaca_CA
project.funder.nameMinisterio de Ciencia, Innovación y Universidades (Spain)ca_CA
oaire.awardNumberPOSDOC/2019/30ca_CA
oaire.awardNumberUJI-B2019-30ca_CA
oaire.awardNumberPGC2018094417-B-I00ca_CA


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