Surface-dependent photocatalytic and biological activities of Ag2CrO4: Integration of experiment and simulation

Author(s):Show less -

Assis, Marcelo ^[1] ; de Foggi, Camila Cristina ^{[2, 1]} ; Teodoro, Vinicius ^[1] ; de Campos da Costa, Joao Paulo ^[1] ; Silva, Carlos Eduardo ^[3] ; Robeldo, Thaiane ^[4] ; Caperucci, Priscila Fernanda ^[1] ; Vergani, Carlos Eduardo ^[5] ; Borra, Ricardo Carneiro ^[4] ; Sorribes, Ivan ^{[2, 6]} ; Gouveia, Amanda Fernandes ^{[3, 2]} ; San-Miguel, Miguel Angel ^[3] ; Andres, Juan ^[2] ; Longo, Elson ^[1]

Affiliation

^[1] Univ Fed Sao Carlos UFSCar, CDMF, POB 676, BR-13565905 Sao Carlos, SP - Brazil

^[2] Univ Jaume 1, Dept Phys & Analyt Chem, Castellon de La Plana 12071 - Spain

^[3] Univ Estadual Campinas, Inst Chem, UNICAMP, BR-13083970 Campinas, SP - Brazil

^[4] Univ Fed Sao Carlos UFSCar, Dept Genet & Evolut, Lab Appl Immunol, LIA, POB 676, BR-13565905 Sao Carlos, SP - Brazil

^[5] Univ Estadual Paulista, FOAr UNESP, POB 1680, BR-14801903 Araraquara, SP - Brazil

^[6] Univ Politecn Valencia, Inst Tecnol Quim, CSIC, Av Naranjos S-N, Valencia 46022 - Spain

• Document type: Journal article
• Source: Applied Surface Science; v. 545, APR 15 2021.
• Web of Science Citations: 0

Abstract

In this work, we present a joint experimental and theoretical study towards unveiling the photocatalytic (photodegradation of Rhodamine B), the antifungal (towards Candida glabrata) and cytotoxicity (against the L929 cell line) of Ag2CrO4. X-ray diffraction, Rietveld refinements, micro-Raman, UV-Visible spectroscopies, and photoluminescence emissions have been employed to characterize the as-synthetized samples by a co-precipitation method in water and ammonia. To complement and rationalize the experimental results, first-principles calculations have been performed within the framework of density functional theory. The crystal morphologies were characterized by field emission scanning electron microscopy images, while the Wulff construction, obtained by the calculated values of the surface energy, was employed to model and match the experimental images by tuning the relative stability of the exposed surfaces. This experimental and theoretical study provides a detailed understanding of the transformations of morphology and can aid in the development of the surface-dependent photocatalytic and biological activities of Ag2CrO4. We believe that our results offer new insights regarding the local coordination of superficial Ag and Cr cations on each exposed surface of the corresponding morphology, provided some general principles for material design, that dictate the properties of Ag2CrO4, a field that has so far remained unexplored. (AU)

• 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: 19/01732-1 - Photocatalytic activity of multifunctional semiconductors: influence of morphology and electron injection
• Grantee: Amanda Fernandes Gouveia
• Support Opportunities: Scholarships in Brazil - Post-Doctorate
• FAPESP's process: 17/12594-3 - CDMF - Center for the Development of Functional Materials
• Grantee: Camila Cristina de Foggi
• Support Opportunities: Scholarships in Brazil - Post-Doctorate
• FAPESP's process: 16/23891-6 - Computer modeling of condensed matter
• Grantee: Alex Antonelli
• Support Opportunities: Research Projects - Thematic Grants
• FAPESP's process: 19/13507-2 - Characterization and antimicrobial activity of Ag2WO4 film deposited by femtosecond laser on titanium surface
• Grantee: Camila Cristina de Foggi
• Support Opportunities: Scholarships abroad - Research Internship - Post-doctor