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Towards a relationship between photoluminescence emissions and photocatalytic activity of Ag2SeO4: combining experimental data and theoretical insights

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Author(s):
Pinatti, Ivo M. ; Tello, Ana C. M. ; Pereira, Paula F. S. ; Trench, Aline B. ; Teodoro, Marcio D. ; Rosa, Ieda L. V. ; da Silva, Alberico B. F. ; Longo, Elson ; Andres, Juan ; Simoes, Alexandre Z.
Total Authors: 10
Document type: Journal article
Source: DALTON TRANSACTIONS; v. 51, n. 30, p. 17-pg., 2022-07-01.
Abstract

A systematic theoretical and experimental study was carried out to find a relationship between photoluminescence emissions and photocatalytic activity of Ag2SeO4 obtained by different synthesis methods (sonochemistry, ultrasonic probe, coprecipitation and microwave assisted hydrothermal synthesis). Experimental characterization techniques (XRD with Rietveld refinement, Raman, FTIR, UV-vis, XPS and photoluminescence spectroscopy) were used to elucidate its structural order at short, medium, and long ranges. Morphological analysis performed by FE-SEM showed distinct morphologies due to the different methods of synthesis. Based on density functional theory (DFT) calculations, it was possible to study in detail the Ag2SeO4 surface properties, including its surface energy, geometry, and electronic structure for the (100), (010), (001), (101), (011), (110), (111), (021), (012) and (121) surfaces. The equilibrium morphology of Ag2SeO4 was predicted as a truncated octahedron with exposed (111), (001), (010) and (011) surfaces. Photoluminescence emissions showed a band covering the visible spectrum, and the Ag2SeO4 obtained by the coprecipitation method presented the most intense band with a maximum in the red region. Photocatalytic results confirmed that Ag2SeO4 synthesized by the sonochemistry method is the best photocatalyst for rhodamine B degradation under UV light irradiation. (AU)

FAPESP's process: 19/03722-3 - Evaluation of the Theoretical, Structural and Morphological Properties of Selenium and Silver Nanomaterials for Photoluminescent and Biological Application
Grantee:Ivo Mateus Pinatti
Support Opportunities: Scholarships in Brazil - Post-Doctoral
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: 18/09530-6 - Synthesis and structural, morphological and photoluminescent studies of pure and Eu3+ doped bismuth molybdates
Grantee:Fabio Augusto Pires
Support Opportunities: Scholarships in Brazil - Scientific Initiation
FAPESP's process: 13/07375-0 - CeMEAI - Center for Mathematical Sciences Applied to Industry
Grantee:Francisco Louzada Neto
Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC
FAPESP's process: 19/25944-8 - Femtosecond and nanosecond laser irradiation of Ag2SeO4 and Ag2SeO3 compounds and its theoretical study
Grantee:Ivo Mateus Pinatti
Support Opportunities: Scholarships abroad - Research Internship - Post-doctor