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dc.contributor.authorAlvarez Roca, Roman
dc.contributor.authorGouveia, A. F.
dc.contributor.authorLemos, Pablo S.
dc.contributor.authorGracia Edo, Lourdes
dc.contributor.authorAndrés, Juan
dc.contributor.authorLongo, Elson
dc.identifier.citationROCA, 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.ca_CA
dc.description.abstractIn 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 formationca_CA
dc.description.sponsorShipThis work was financially supported by the following Spanish and Brazilian research funding institutions: PrometeoII/2014/ 022 and ACOMP/2014/270 projects (Generalitat-Valenciana), Ministerio de Economia y Competitividad (CTQ2012-36253- C03-02), Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP 2012/14004-5, 2013/07296-2 and 2013/ 26671-9), Conselho Nacional de Desenvolvimento Cientifí co e Tecnológico (CNPq; 479644/2012-8, 350711/2012-7, 304531/2013-8 and 151136/2013-0), Coordenação de Aperfeico̧ amento de Pessoal de Niv́ el Superior, and Programa de Cooperación Cientifíca con Iberoamerica (Brasil) of Ministerio de Educación (PHBP14-00020). J.A. acknowledges to Ministerio de Economia y Competitividad, “Salvador Madariaga” program, PRX15/00261. L.G. acknowledges Banco Santander (Becas Iberoamérica: Jóvenes profesores e investigadores).ca_CA
dc.format.extent11 p.ca_CA
dc.publisherAmerican Chemical Societyca_CA
dc.relation.isPartOfInorganic Chemistry, 2016, vol. 55, núm. 17ca_CA
dc.rightsCopyright © 2016 American Chemical Societyca_CA
dc.subjectFacile hydrothermal synthesisca_CA
dc.subjectSilver tungstateca_CA
dc.subjectPhotocatalytic activityca_CA
dc.subjectMetal nanoparticlesca_CA
dc.titleFormation of Ag Nanoparticles on β‑Ag2WO4 through Electron Beam Irradiation: A Synergetic Computational and Experimental Studyca_CA

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