Disclosing the Biocide Activity of α-Ag2−2xCuxWO4 (0 ≤ x ≤ 0.16) Solid Solutions

• Autor(a) principal: Pereira, Paula Fabiana dos Santos
• Data de Publicação: 2022
• Outros Autores: De Foggi, Camila Cristina, Gouveia, Amanda Fernandes, Pinatti, Ivo Mateus, Cabral, Luís Antônio, Guillamon, Eva, Sorribes, Iván, San-Miguel, Miguel A., Vergani, Carlos Eduardo [UNESP], Simões, Alexandre Zirpoli [UNESP], da Silva, Edison Z., Cavalcante, Laécio Santos, Llusar, Rosa, Longo, Elson, Andrés, Juan
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Institucional da UNESP
• Texto Completo: http://dx.doi.org/10.3390/ijms231810589; http://hdl.handle.net/11449/247680
• topic: biocide activity; DFT study; morphology; α-Ag2−2xCuxWO4 solid solutions

In this work, α-Ag2−2xCuxWO4 (0 ≤ x ≤ 0.16) solid solutions with enhanced antibacterial (against methicillin-resistant Staphylococcus aureus) and antifungal (against Candida albicans) activities are reported. A plethora of techniques (X-ray diffraction with Rietveld refinements, inductively coupled plasma atomic emission spectrometry, micro-Raman spectroscopy, attenuated total reflectance–Fourier transform infrared spectroscopy, field emission scanning electron microscopy, ultraviolet–visible spectroscopy, photoluminescence emissions, and X-ray photoelectron spectroscopy) were employed to characterize the as-synthetized samples and determine the local coordination geometry of Cu2+ cations at the orthorhombic lattice. To find a correlation between morphology and biocide activity, the experimental results were sustained by first-principles calculations at the density functional theory level to decipher the cluster coordinations and electronic properties of the exposed surfaces. Based on the analysis of the under-coordinated Ag and Cu clusters at the (010) and (101) exposed surfaces, we propose a mechanism to explain the biocide activity of these solid solutions.