| Texto completo | |
| Autor(es): |
Roca, Roman A.
;
Gouveia, Amanda F.
;
Lemos, Pablo S.
;
Gracia, Lourdes
;
Andres, Juan
;
Longo, Elson
Número total de Autores: 6
|
| Tipo de documento: | Artigo Científico |
| Fonte: | Inorganic Chemistry; v. 55, n. 17, p. 8661-8671, SEP 5 2016. |
| Citações Web of Science: | 17 |
| Resumo | |
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) | |
| Processo FAPESP: | 13/07296-2 - CDMF - Centro de Desenvolvimento de Materiais Funcionais |
| Beneficiário: | Elson Longo da Silva |
| Modalidade de apoio: | Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs |
| Processo FAPESP: | 13/26671-9 - Estudo teórico-experimental de semicondutores multifuncionais |
| Beneficiário: | Amanda Fernandes Gouveia |
| Modalidade de apoio: | Bolsas no Brasil - Doutorado |
| Processo FAPESP: | 12/14004-5 - Investigação das propriedades fotoluminescentes e fotocatalíticas de pós de BaWO4 e BaMoO4 puros e dopados com Mn, Cu e Zn |
| Beneficiário: | Júlio César Sczancoski |
| Modalidade de apoio: | Bolsas no Brasil - Pós-Doutorado |