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dc.contributor.authorBrito, Maurício Rocha de-
dc.date.accessioned2026-07-29T18:59:59Z-
dc.date.available2026-07-29T18:59:59Z-
dc.date.issued2025-05-15-
dc.identifier.citationBRITO, Maurício Rocha de. Compósitos Baseados em Nióbio e Metais Não Nobres Como Fotocatalisadores Ativos Sob Luz Visível. 2025 115 f. Dissertação (Mestrado em Química) - Instituto de Química, Universidade Federal Rural do Rio de Janeiro, Seropédica, 2025.pt_BR
dc.identifier.urihttp://rima.ufrrj.br/jspui/handle/20.500.14407/25929-
dc.description.abstractVisando a obtenção de novos fotocatalisadores ativos sob luz visível, e de baixo custo, o presente trabalho teve como objetivo o desenvolvimento de seis compósitos fotocatalíticos baseados em três misturas distintas das fases cristalinas do pentóxido de nióbio em combinação com os metais não nobres alumínio e cobre. O processo escolhido para as sínteses foi o preparo de uma matriz orgânica baseada em oligômeros da conversão da frutose em meio de etilenoglicol e sais solúveis como precursores dos metais não nobres, seguida da adição da mistura reagida sobre uma suspensão de óxido de nióbio no mesmo solvente, a 105 oC. A partir da análise por refletância difusa no ultravioleta e visível (RDUV/Vis) dos materiais obtidos foi possível estimar as energias de banda proibida pelo método de Tauc, todas entre 1,79 e 2,47 eV, situadas no domínio da luz visível, em contraste com os materiais precursores (2,93~3,53 eV). Em adição, a determinação das energias de Urbach (0,295~0,538 eV nos compósitos e 0,080~0,129 nos óxidos precursores) corroboram com o potencial de aplicabilidade dos materiais como fotocatalisadores. Todos materiais foram testados fotocataliticamente para degradação do corante rodamina B em meio aquoso sob irradiação de luz visível de uma lâmpada de LED de 100 W e “temperatura de cor” de 6500 K, apresentando percentuais de descoloramento superiores aos óxidos de partida em 2h. Foi realizada uma breve discussão quanto aos possíveis mecanismos de ação dos materiais, o que levou à escolha do material Al/Fru@Up (70,4% de descoloramento) para uma tentativa de otimização do processo de síntese, levando ao material Al/Fru@Up1⁄2, com atividade similar (73,4%). Posteriormente, foram realizados ensaios de adsorção, destacando o emprego de métodos numéricos para análise cinética e a possibilidade de um mecanismo de duas etapas. Por fim, um estudo baseado nas teorias do funcional de densidade livre e dependente do tempo foi iniciado para investigação do mecanismo de transformação da frutose e para determinação das propriedades eletrônicas do 5-hidroximetilfurfural, possível intermediário-chave do processopt_BR
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPESpt_BR
dc.languageporpt_BR
dc.publisherUniversidade Federal Rural do Rio de Janeiropt_BR
dc.subjectPentóxido de nióbiopt_BR
dc.subjectfotocatálisept_BR
dc.subjectmetais não nobrespt_BR
dc.subjectcompósitos orgânicos-inorgânicospt_BR
dc.subjectdescoloramentopt_BR
dc.subjectNiobium pentoxidept_BR
dc.subjectphotocatalysispt_BR
dc.subjectnon-noble metalspt_BR
dc.subjectorganic-inorganic compositespt_BR
dc.subjectdecolorizationpt_BR
dc.titleAté onde houver minério: Expansão da Mineração no Nordeste brasileiro e uma nova face do capitalismo extrativistapt_BR
dc.typeDissertaçãopt_BR
dc.description.abstractOtherAiming at the synthesis of new visible-light-active photocatalysts, this work focused on six photocatalytic composites derived from three distinct mixtures comprising the crystalline phases of niobium pentoxide (named as "hydrate", "optical degree", and "high purity") combined with non-noble metals (aluminum or copper). The synthetic procedure involved preparing an organic matrix of fructose-derived oligomers with non-noble metal precursor salts in an ethylene glycol medium, followed by addition into an Nb2O5/ethylene glycol suspension at 105 °C. Bandgap energies were estimated using the Tauc-plot method from UV-Vis diffuse reflectance spectroscopy data, showing that all composites exhibit visible-light-range bandgaps (1.79~2.47 eV), significantly lower than those of the precursor oxides (2.93~3.53 eV). Urbach energy values (0.295~0.538 eV for composites vs. 0.080~0.129 eV for precursors) further supported the enhanced photocatalytic potential. Photocatalytic activity was evaluated in aqueous medium through rhodamine B dye decolorization under irradiation by a 100 W white LED (6500 K). All composites demonstrated superior decolorization efficiencies compared to their respective pristine oxides after 2 h. A brief discussion of the catalytic mechanism was provided, identifying the Al/Fru@Up composite as the most promising candidate for optimization (originally achieving 70.4% decolorization), with the optimized Al/Fru@Up1⁄2 variant showing similar performance (73.4%). Adsorption assays were subsequently performed, highlighting numerical approaches for kinetic analysis and suggesting a two-step adsorption mechanism per site. Finally, preliminary theoretical studies were conducted using density functional theory (time-dependent and stationary cases) to investigate the fructose transformation mechanism and to determine the optical properties of 5-hydroxymethylfurfural, a possible key intermediateen
dc.contributor.advisor1Wanderlind, Eduardo Hillmann-
dc.contributor.advisor1IDhttps://orcid.org/0000-0002-0534-5898pt_BR
dc.contributor.advisor1Latteshttp://lattes.cnpq.br/2228599765138274pt_BR
dc.contributor.referee1Wanderlind, Eduardo Hillmann-
dc.contributor.referee1IDhttps://orcid.org/0000-0002-0534-5898pt_BR
dc.contributor.referee1Latteshttp://lattes.cnpq.br/2228599765138274pt_BR
dc.contributor.referee2Guedes, Guilherme Pereira-
dc.contributor.referee2IDhttps://orcid.org/0000-0001-6138-9943pt_BR
dc.contributor.referee2Latteshttp://lattes.cnpq.br/1072583605352186pt_BR
dc.contributor.referee3Silva Júnior, Antônio Marques da-
dc.contributor.referee3IDhttps://orcid.org/0000-0002-4473-7288pt_BR
dc.contributor.referee3Latteshttp://lattes.cnpq.br/0895213089855328pt_BR
dc.creator.Latteshttp://lattes.cnpq.br/8051810022314364pt_BR
dc.publisher.countryBrasilpt_BR
dc.publisher.departmentInstituto de Químicapt_BR
dc.publisher.initialsUFRRJpt_BR
dc.publisher.programPrograma de Pós-Graduação em Químicapt_BR
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dc.subject.cnpqQuímicapt_BR
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