Surface-dependent photocatalytic and biological activities of Ag2CrO4: Integration of experiment and simulation
Impacto
Scholar |
Otros documentos de la autoría: Assis, Marcelo de; Foggi, Camila Cristina; Teodoro , Vinícius; De Campos da Costa, Joao Paulo; Silva, Carlos Eduardo; Robeldo, Thaiane; Caperucci, Priscila Fernanda; Vergani, Carlos; Borra, Ricardo Carneiro; Sorribes, Iván; Gouveia, Amanda; San-Miguel, Miguel A.; Andres, Juan; Longo, Elson
Metadatos
Mostrar el registro completo del ítemcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/7013
comunitat-uji-handle3:10234/8638
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https://doi.org/10.1016/j.apsusc.2021.148964 |
Metadatos
Título
Surface-dependent photocatalytic and biological activities of Ag2CrO4: Integration of experiment and simulationAutoría
Fecha de publicación
2021-04-15Editor
ElsevierISSN
0169-4332Cita bibliográfica
ASSIS, Marcelo, et al. Surface-dependent photocatalytic and biological activities of Ag2CrO4: Integration of experiment and simulation. Applied Surface Science, 2021, vol. 545, p. 148964Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
https://www.sciencedirect.com/science/article/pii/S0169433221000404Versión
info:eu-repo/semantics/publishedVersionPalabras clave / Materias
Resumen
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 ... [+]
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. [-]
Publicado en
Applied Surface Science, 2021, vol. 545Entidad financiadora
Fundação de Amparo à Pesquisa do Estado de São Paulo - FAPESP | Ciencia Tecnologia e Inovacao (FINEP) | National Council for Scientific and Technological Development (CNPq) | CAPES | Universitat Jaume I | Ministerio de Ciencia, Innovación y Universidades | Ministerio de Economía, Industria y Competitividad (MINECO)
Código del proyecto o subvención
2013/07296-2 | 2016/23891-6 | 2017/12594-3 | 2019/01732-1 | 2019/13507-2 | 166281/2017-4 | UJI-B2019-30 | PGC2018094417-B-I00 | IJCI-2016-30590 | CAS19/00339
Derechos de acceso
Copyright © Elsevier B.V.
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info:eu-repo/semantics/restrictedAccess
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