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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Formation of Ag Nanoparticles on beta-Ag2WO4 through Electron Beam Irradiation: A Synergetic Computational and Experimental Study

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Roca, Roman A. ; Gouveia, Amanda F. ; Lemos, Pablo S. ; Gracia, Lourdes ; Andres, Juan ; Longo, Elson
Total Authors: 6
Document type: Journal article
Source: Inorganic Chemistry; v. 55, n. 17, p. 8661-8671, SEP 5 2016.
Web of Science Citations: 16

In the present work, a combined theoretical and experimental study was performed on the structure, optical properties, and growth of Ag nanoparticles in metastable beta-Ag2WO4 microcrystals. This material was synthesized using the precipitation method without the presence of surfactants. The structural behavior was analyzed using X-ray diffraction and Raman and infrared spectroscopy. Field-emission scanning electron microscopy revealed the presence of irregular spherical-like Ag nanoparticles on the beta-Ag2WO4 micro-crystals, which were induced by electron beam irradiation under high vacuum conditions. A detailed analysis of the optimized beta-Ag2WO4 geometry and theoretical results enabled interpretation of both the Raman and infrared spectra and provided deeper insight into rationalizing the observed morphology. In addition, first-principles calculations, within the quantum theory of atoms in molecules framework, provided an in-depth understanding of the nucleation and early evolution of Ag nanoparticles. The Ag nucleation and formation is the result of structural and electronic changes of the {[}AgO6] and {[}AgO5] clusters as a constituent building block of beta-Ag2WO4, which is consistent with Ag metallic formation. (AU)

FAPESP's process: 12/14004-5 - Investigation of the photoluminescence and photocatalytic properties of pure and Mn, Cu, and Zn-doped BaWO4 and BaMoO4 powders
Grantee:Júlio César Sczancoski
Support type: Scholarships in Brazil - Post-Doctorate
FAPESP's process: 13/26671-9 - Theoretical and experimental study of multifunctional semiconductors
Grantee:Amanda Fernandes Gouveia
Support type: Scholarships in Brazil - Doctorate
FAPESP's process: 13/07296-2 - CDMF - Center for the Development of Functional Materials
Grantee:Elson Longo da Silva
Support type: Research Grants - Research, Innovation and Dissemination Centers - RIDC