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Understanding the boosted electrooxidation of sulfonamides via ruthenium-doped BiVO4 catalysts using DFT insights

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Autor(es):
Goncalves, Roger ; Guardiano, Matheus G. ; Lucca, Juliana ; Pereira, Ernesto C. ; Mascaro, Lucia H. ; Gonzaga, Isabelle M. D.
Número total de Autores: 6
Tipo de documento: Artigo Científico
Fonte: CHEMICAL ENGINEERING JOURNAL; v. 516, p. 10-pg., 2025-07-15.
Resumo

Water treatment is a fundamental issue for public health and environmental well-being, so we study several materials and technologies for water treatment since there are many refractory compounds. Despite its low electrocatalytic activity, BiVO4 has been explored as an abundant and low-cost option. Therefore, it is necessary to seek alternative methods to overcome this disadvantage. A promising alternative is doping with metals since it can improve the electrocatalytic properties of the material and make it attractive for several applications. This work aimed to synthesize BiVO4 by electrodeposition and dope with Ru to evaluate the influence of this metal on the catalytic properties. Subsequently, it was applied to remove sulfonamides (sulfadiazine, SDZ, and sulfamethoxazole, SMX) to evaluate the degradation mechanism and feasibility. The Ru-BiVO4 film decreased the resistance to charge transfer compared to the pure electrode. Furthermore, the Ru-BiVO4 film was applied to the electrooxidation of SDZ and SMX antibiotics, and a complete removal of both antibiotics was obtained in 10 min, indicating that the insertion of 1 % Ru in BiVO4 significantly improved its electrocatalytic activity. Finally, theoretical studies were performed to confirm the results obtained in the laboratory. Thus, it was possible to conclude that the Ru-BiVO4 film presented excellent activity, showing that the material is highly promising for large-scale application. (AU)

Processo FAPESP: 21/03592-2 - Modelagem e simulação de dispositivos eletroquímicos por elementos finitos
Beneficiário:Evaldo Batista Carneiro Neto
Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado
Processo FAPESP: 13/07296-2 - CDMF - Centro de Desenvolvimento de Materiais Funcionais
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Modalidade de apoio: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs
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Modalidade de apoio: Bolsas no Brasil - Doutorado
Processo FAPESP: 17/11986-5 - Geração e Armazenamento de Novas Energias: trazendo desenvolvimento tecnológico para o país
Beneficiário:Ana Flávia Nogueira
Modalidade de apoio: Auxílio à Pesquisa - Programa Centros de Pesquisa Aplicada