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

Author(s):Show less -

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.

• Document type: Journal article
• Source: Optical Materials; v. 138, p. 11-pg., 2023-03-28.

Abstract

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)

• FAPESP's process: 16/23891-6 - Computer modeling of condensed matter
• Grantee: Alex Antonelli
• Support Opportunities: Research Projects - Thematic Grants
• FAPESP's process: 17/26105-4 - Multi-user equipment approved in grant 2016/23891-6 high performace computational cluster
• Grantee: Alex Antonelli
• Support Opportunities: Multi-user Equipment Program
• FAPESP's process: 13/07296-2 - CDMF - Center for the Development of Functional Materials
• Grantee: Elson Longo da Silva
• Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC
• FAPESP's process: 20/03780-0 - Theoretical and computational studies of semiconductor materials with photocatalytic potential
• Grantee: Luis Henrique da Silveira Lacerda
• Support Opportunities: Scholarships in Brazil - Post-Doctoral