Enhanced photocatalytic activity of BiOBr/ZnWO4 heterojunction: A combined experimental and DFT-based theoretical approach

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Andrade, Alana O. C. ; Lacerdab, Luis Henrique da Silveira ; Lage, M. M. ; Sharma, Surender K. ; da Costa, M. E. H. Maia ; Alves, Odivaldo C. ; Santos, Evelyn C. S. ; dos Santos, C. C. ; de Menezes, A. S. ; San-Miguel, Miguel Angel ; Moura Filho, Francisco ; Longo, Elson ; Almeidaj, Marcio A. P.

• Tipo de documento: Artigo Científico
• Fonte: Optical Materials; v. 138, p. 11-pg., 2023-03-28.

Resumo

We report a successful fabrication of BiOBr/ZnWO4 heterojunction with enhanced photocatalytic performance for degrading Rhodamine B dye validated by joint experimental and theoretical approaches. The structural and microstructural analysis indicate that the heterostructures consist of a mixed tetragonal/monoclinic phase with enhanced surface area, which is crucial for photocatalysis. The results indicate increased photocatalytic activity for heterojunctions since BiOBr/ZnWO4 heterostructure showed a better degradation rate for Rhodamine B dye as compared to BiOBr due to higher surface area, pore size, and better photogenerated electron-hole pair sep-aration efficiency. Additional analyses using isopropanol, benzoquinone, and sodium azide scavengers analysis were performed, showing that superoxide radicals (O ' 2) as the main responsible for the photocatalytic degra-dation of investigated materials. The theoretical analysis offers a complete overview of the composition and electronic structure of the interface. (AU)

• Processo FAPESP: 16/23891-6 - Modelagem computacional da matéria condensada
• Beneficiário: Alex Antonelli
• Modalidade de apoio: Auxílio à Pesquisa - Temático
• Processo FAPESP: 17/26105-4 - EMU concedido no processo 2016/23891-6 cluster computacional de alto desempenho
• Beneficiário: Alex Antonelli
• Modalidade de apoio: Auxílio à Pesquisa - Programa Equipamentos Multiusuários
• Processo FAPESP: 13/07296-2 - CDMF - Centro de Desenvolvimento de Materiais Funcionais
• Beneficiário: Elson Longo da Silva
• Modalidade de apoio: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs
• Processo FAPESP: 20/03780-0 - Estudo teórico-computacional de materiais semicondutores com potencial fotocatalítico
• Beneficiário: Luis Henrique da Silveira Lacerda
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado