Theoretical calculations

Hydrothermal synthesis, structural characterization and photocatalytic properties of beta-Ag2MoO4 microcrystals: Correlation between experimental and theoretical data

25 de março de 2020 LAbI UFSCar 0

Hydrothermal synthesis, structural characterization and photocatalytic properties of beta-Ag2MoO4 microcrystals: Correlation between experimental and theoretical data Abstract: In this paper, we report about hydrothermal synthesis, structural characterization and photocatalytic properties of beta-silver molybdate (beta-Ag2MoO4) microcrystals […]

Identifying and rationalizing the morphological, structural, and optical properties of beta-Ag2MoO4 microcrystals, and the formation process of Ag nanoparticles on their surfaces: combining experimental data and first-principles calculations

12 de abril de 2019 LAbI UFSCar 0

Identifying and rationalizing the morphological, structural, and optical properties of beta-Ag2MoO4 microcrystals, and the formation process of Ag nanoparticles on their surfaces: combining experimental data and first-principles calculations Abstract: We present a combined theoretical and experimental […]

Synthesis and evaluation of alpha-Ag2WO4 as novel antifungal agent

11 de abril de 2019 LAbI UFSCar 0

Synthesis and evaluation of alpha-Ag2WO4 as novel antifungal agent Abstract: Because of the need for new antifungal materials with greater potency, microcrystals of alpha-Ag2WO4, a complex metal oxide, have been synthetized by a simple co-precipitation method, […]