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dc.contributor.author
Ramalho, Teodorico C.
dc.contributor.author
Oliveira, Luiz C. A.
dc.contributor.author
Carvalho, Kele Tatiane Gomes
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Souza, Eugênio F.
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Da Cunha, Elaine F. F.
dc.contributor.author
Nazzarro, Marcelo Sandro
dc.date.available
2021-02-18T00:39:19Z
dc.date.issued
2009-01
dc.identifier.citation
Ramalho, Teodorico C.; Oliveira, Luiz C. A.; Carvalho, Kele Tatiane Gomes ; Souza, Eugênio F.; Da Cunha, Elaine F. F.; et al.; The molecular basis for the behaviour of niobia species in oxidation reaction probed by theoretical calculations and experimental techniques; Taylor & Francis Ltd; Molecular Physics; 107; 2; 1-2009; 171-179
dc.identifier.issn
0026-8976
dc.identifier.uri
http://hdl.handle.net/11336/125891
dc.description.abstract
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.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Taylor & Francis Ltd
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
NIOBIA
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FENTON-LIKE MECHANISM
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DFT CALCULATIONS
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ESI-MS
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Físico-Química, Ciencia de los Polímeros, Electroquímica
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Ciencias Químicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
The molecular basis for the behaviour of niobia species in oxidation reaction probed by theoretical calculations and experimental techniques
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2020-12-22T15:49:25Z
dc.identifier.eissn
1362-3028
dc.journal.volume
107
dc.journal.number
2
dc.journal.pagination
171-179
dc.journal.pais
Reino Unido
dc.journal.ciudad
Londres
dc.description.fil
Fil: Ramalho, Teodorico C.. Universidad Federal de Lavras; Brasil
dc.description.fil
Fil: Oliveira, Luiz C. A.. Universidad Federal de Lavras; Brasil
dc.description.fil
Fil: Carvalho, Kele Tatiane Gomes. Universidad Federal de Lavras; Brasil
dc.description.fil
Fil: Souza, Eugênio F.. Universidad Federal de Lavras; Brasil
dc.description.fil
Fil: Da Cunha, Elaine F. F.. Universidad Federal de Lavras; Brasil
dc.description.fil
Fil: Nazzarro, Marcelo Sandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
dc.journal.title
Molecular Physics
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.tandfonline.com/doi/abs/10.1080/00268970902769489
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1080/00268970902769489
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