| Texto completo | |
| Autor(es): |
Laier, Leticia O.
;
Assis, Marcelo
;
Foggi, Camila C.
;
Gouveia, Amanda F.
;
Vergani, Carlos E.
;
Santana, Luis C. L.
;
Cavalcante, Laecio S.
;
Andres, Juan
;
Longo, Elson
Número total de Autores: 9
|
| Tipo de documento: | Artigo Científico |
| Fonte: | THEORETICAL CHEMISTRY ACCOUNTS; v. 139, n. 7, p. 11-pg., 2020-06-10. |
| Resumo | |
Alpha-silver tungstate (alpha-Ag2WO4) has attracted much attention in recent years due to its unique crystal and electronic structures, which are suitable for a wide range of applications. This work presents a more realistic study, based on first-principles calculations and experimental results, of the potential of alpha-Ag(2)WO(4)for antibacterial and photocatalytic activity. alpha-Ag(2)WO(4)material has been successfully synthesized by a coprecipitation method and subjected to microwave irradiation for different times. The as-synthesized microcrystals were structurally characterized by X-ray diffraction, while the morphological aspects were investigated by field emission scanning electron microscopy. The experimental studies and theoretical simulations of alpha-Ag2WO4, based on density functional theory calculations, have highlighted several key parameters (surface dependent) that determine the antibacterial (againstStaphylococcus aureus) and photocatalytic activity (for the degradation of rhodamine B) and provided some general principles for material design. We believe that our results offer new insights regarding the local coordination of superficial Ag and W atoms (i.e. clusters) on each exposed surface of the corresponding morphology, that dictate the antibacterial and photocatalytic activities of alpha-Ag2WO4, a field that has so far remained unexplored. (AU) | |
| Processo FAPESP: | 14/14171-4 - Investigação da estrutura cristalina e das propriedades fotoluminescentes, fotocatalíticas e antibacterianas dos nanocristais de (Ag2-2xZnX)WO4 com (x = 0; 0,25; 0,50; 0,75 e 1) incorporados na quitosana |
| Beneficiário: | Paula Fabiana dos Santos Pereira Lima |
| Modalidade de apoio: | Bolsas no Brasil - Pós-Doutorado |
| Processo FAPESP: | 17/13008-0 - Nanopartículas metálicas-modificadas in situ em tempo real pelo MET e Laser Femtosecond e incorporadas na Quitosana |
| Beneficiário: | Paula Fabiana dos Santos Pereira Lima |
| Modalidade de apoio: | Bolsas no Exterior - Estágio de Pesquisa - Pós-Doutorado |
| Processo FAPESP: | 17/12594-3 - CDMF - Centro de Desenvolvimento de Materiais Funcionais |
| Beneficiário: | Camila Cristina de Foggi |
| Modalidade de apoio: | Bolsas no Brasil - Pós-Doutorado |