Use este identificador para citar ou linkar para este item:
http://repositorio.ufla.br/jspui/handle/1/15525| Título: | The molecular basis for the behaviour of niobia species in oxidation reaction probed by theoretical calculations and experimental techniques |
| Palavras-chave: | Niobia Fenton-like mechanism DFT calculations ESI-MS Discrete Fourier transform Degradation mechanism Mecanismo semelhante a Fenton Cálculos DFT Teoria do funcional da densidade Mecanismo de degradação |
| Data do documento: | 2009 |
| Editor: | Taylor & Francis |
| Citação: | RAMALHO, T. C. et al. The molecular basis for the behaviour of niobia species in oxidation reaction probed by theoretical calculations and experimental techniques. Molecular Physics, London, v. 107, n. 2, p. 171-179, 2009. |
| Resumo: | This 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. |
| URI: | http://www.tandfonline.com/doi/abs/10.1080/00268970902769489 repositorio.ufla.br/jspui/handle/1/15525 |
| Aparece nas coleções: | DQI - Artigos publicados em periódicos |
Arquivos associados a este item:
Não existem arquivos associados a este item.
Os itens no repositório estão protegidos por copyright, com todos os direitos reservados, salvo quando é indicado o contrário.