The molecular basis for the behaviour of niobia species in oxidation reaction probed by theoretical calculations and experimental techniques

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MetadadosDescriçãoIdioma
Autor(es): dc.creatorRamalho, Teodorico C.-
Autor(es): dc.creatorOliveira, Luiz C. A.-
Autor(es): dc.creatorCarvalho, Kele T. G.-
Autor(es): dc.creatorSouza, Eugênio F.-
Autor(es): dc.creatorCunha, Elaine F. F. da-
Autor(es): dc.creatorNazzaro, Marcelo-
Data de aceite: dc.date.accessioned2026-02-09T12:40:31Z-
Data de disponibilização: dc.date.available2026-02-09T12:40:31Z-
Data de envio: dc.date.issued2017-10-11-
Data de envio: dc.date.issued2017-10-11-
Data de envio: dc.date.issued2009-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/15525-
Fonte completa do material: dc.identifierhttp://www.tandfonline.com/doi/abs/10.1080/00268970902769489-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1166037-
Descrição: dc.descriptionThis paper describes the preparation and use of a new class of materials based on synthetic niobia as catalysts in the oxidation of organic compounds in aqueous medium. The chemical reactions were carried out in the presence of hydrogen peroxide (H2O2). The material was characterized with X-ray diffraction, XPS and H2-TPR (temperature-programmed reduction) measurements. The organic molecule methylene-blue was used in the decomposition study as a probe contaminant. The analysis using the ESI-MS technique showed complete oxidation observed through different intermediates. This suggests the use of niobia species as an efficient Fenton-like catalyst in degradation reactions. Theoretical quantum DFT calculations were carried out in order to understand the degradation mechanism.-
Idioma: dc.languageen-
Publicador: dc.publisherTaylor & Francis-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourceMolecular Physics-
Palavras-chave: dc.subjectNiobia-
Palavras-chave: dc.subjectFenton-like mechanism-
Palavras-chave: dc.subjectDFT calculations-
Palavras-chave: dc.subjectESI-MS-
Palavras-chave: dc.subjectDiscrete Fourier transform-
Palavras-chave: dc.subjectDegradation mechanism-
Palavras-chave: dc.subjectMecanismo semelhante a Fenton-
Palavras-chave: dc.subjectCálculos DFT-
Palavras-chave: dc.subjectTeoria do funcional da densidade-
Palavras-chave: dc.subjectMecanismo de degradação-
Título: dc.titleThe molecular basis for the behaviour of niobia species in oxidation reaction probed by theoretical calculations and experimental techniques-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

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