SYNTHESIS, CHARACTERIZATION AND ECOTOXICOLOGICAL EVALUATION OF Ag3VO4/Ag NANOCOMPOSITE

Historically, the development of new methods of synthesizing materials has been linked to the development of societies, mainly due to the ability to promote changes in materials and enable new types of technological applications. Although there is quite sophisticated content about pulsed lasers in femtoseconds, there is still a need to understand the mechanisms of formation and transformation of semiconductor materials, as well as to verify the changes provided, in a more appropriate way, when synthesized by this technique. However, such development must always be combined with the need to minimize and verify environmental effects. This study had as its main objectives to synthesize Ag₃VO₄ via the microwave-assisted hydrothermal method, in different synthesis times (t: 2, 4, 8, 16, 32, 64 min); irradiate the Ag3VO4 samples using a pulsed laser in femtoseconds to form the composite; characterize particulate composites; as well as to evaluate the ecotoxicity of the composite on the floating aquatic macrophyte species Ricciocarpus natans. The powders obtained from the composites were structurally characterized by the techniques of X-ray diffraction, Raman scattering spectroscopy and UV-Vis electronic spectroscopy, and had the surface characterized by scanning and transmission electron microscopy techniques, allowing the identification of structural alterations and surface. Theoretical calculations were used to understand the geometric, vibrational, electronic and charge distribution structures at the atomic level and the nature of chemical interactions present in semiconductor structures. In addition, toxicity bioassays were carried out until the 42nd day in order to obtain an analysis of the ecotoxicological effects, with the aid of mathematical modeling, of these particles on the bioindicator Ricciocarpus natans.

Electron Charge Density: 2D Map

Raw  theoretical electron charge density files which are used to create 2D difference maps for Ag₃VO₄  and AgVO₃ used in the main manuscript

Bader Charges

Raw theoretical Bader charges files for Ag₃VO₄  and AgVO₃ used in the main manuscript

Band Structure and Density of States

Raw band structure and density of states files for Ag₃VO₄  and AgVO₃ used in the main manuscript

Bioassays

Raw bioassays files for composite used in the main manuscript

Raman

Raw Raman files for Ag₃VO₄ and composite  and theoretical raw Raman files for Ag₃VO₄ and AgVO₃ used in the manuscript

Rietveld Refinement

Raw Rietveld refinement files for Ag₃VO₄ used in the manuscript

SEM

SEM images for Ag₃VO₄ and composite used in the manuscript

TEM

TEM and EDX spectres and maps images for Ag₃VO₄ and composite and nanodiffraction image for composite used in the manuscript

Optimized Structure

Raw optimized structure files for Ag₃VO₄ and AgVO₃ used in the manuscript

TOPOND

Raw TOPOND files for Ag₃VO₄ and AgVO₃ used in the manuscript

UV-Vis Spectroscopy

Raw UV-Vis files for Ag₃VO₄ and AgVO₃ used in the manuscript

XRD

Raw XRD files for Ag₃VO₄ and composite used in the manuscript

Note: The words "composite" and "2min_irra or 64 min_irra" are used for the same kind of sample. They are synonymous in this work.

Funding provided by: grant #2020/11232-3, São Paulo Research Foundation (FAPESP).

This study was financed in part by the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior – Brasil (CAPES) – Finance Code 001.