Formation of Ag Nanoparticles on β‑Ag2WO4 through Electron Beam Irradiation: A Synergetic Computational and Experimental Study
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Otros documentos de la autoría: Alvarez Roca, Roman; Gouveia, Amanda; Lemos, Pablo S.; Gracia, Lourdes; Andres, Juan; Longo, Elson
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Título
Formation of Ag Nanoparticles on β‑Ag2WO4 through Electron Beam Irradiation: A Synergetic Computational and Experimental StudyAutoría
Fecha de publicación
2016Editor
American Chemical SocietyISSN
0020-1669; 1520-510XCita bibliográfica
ROCA, Roman A., et al. Formation of Ag Nanoparticles on β-Ag2WO4 through Electron Beam Irradiation: A Synergetic Computational and Experimental Study. Inorganic Chemistry, 2016, vol. 55, no 17, p. 8661-8671.Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
http://bs8lz6ys5q.search.serialssolutions.com/?ctx_ver=Z39.88-2004&ctx_enc=info% ...Versión
info:eu-repo/semantics/publishedVersionPalabras clave / Materias
Resumen
In the present work, a combined theoretical and
experimental study was performed on the structure, optical
properties, and growth of Ag nanoparticles in metastable β-
Ag2WO4 microcrystals. This material was synth ... [+]
In the present work, a combined theoretical and
experimental study was performed on the structure, optical
properties, and growth of Ag nanoparticles in metastable β-
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 β-Ag2WO4 microcrystals,
which were induced by electron beam irradiation
under high vacuum conditions. A detailed analysis of the
optimized β-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 β-Ag2WO4, which is consistent with Ag metallic formation [-]
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Inorganic Chemistry, 2016, vol. 55, núm. 17Derechos de acceso
Copyright © 2016 American Chemical Society
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