DOI: 10.5281/zenodo.7676359
title: SYNTHESIS, CHARACTERIZATION AND ECOTOXICOLOGICAL EVALUATION OF Ag3VO4/Ag NANOCOMPOSITE

description: 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 Ag<sub>3</sub>VO<sub>4</sub> 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 <em>Ricciocarpus natans</em>. 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 <em>Ricciocarpus natans</em>. <strong>Electron Charge Density: 2D Map</strong> Raw theoretical electron charge density files which are used to create 2D difference maps for Ag<sub>3</sub>VO<sub>4</sub> and AgVO<sub>3</sub> used in the main manuscript <strong>Bader Charges</strong> Raw theoretical Bader charges files for Ag<sub>3</sub>VO<sub>4</sub> and AgVO<sub>3</sub> used in the main manuscript <strong>Band Structure and Density of States</strong> Raw band structure and density of states files for Ag<sub>3</sub>VO<sub>4</sub> and AgVO<sub>3</sub> used in the main manuscript <strong>Bioassays</strong> Raw bioassays files for composite used in the main manuscript <strong>Raman</strong> Raw Raman files for Ag<sub>3</sub>VO<sub>4</sub> and composite and theoretical raw Raman files for Ag<sub>3</sub>VO<sub>4</sub> and AgVO<sub>3</sub> used in the manuscript <strong>Rietveld Refinement</strong> Raw Rietveld refinement files for Ag<sub>3</sub>VO<sub>4</sub> used in the manuscript <strong>SEM</strong> SEM images for Ag<sub>3</sub>VO<sub>4</sub> and composite used in the manuscript <strong>TEM</strong> TEM and EDX spectres and maps images for Ag<sub>3</sub>VO<sub>4</sub> and composite and nanodiffraction image for composite used in the manuscript <strong>Optimized Structure</strong> Raw optimized structure files for Ag<sub>3</sub>VO<sub>4</sub> and AgVO<sub>3</sub> used in the manuscript <strong>TOPOND</strong> Raw TOPOND files for Ag<sub>3</sub>VO<sub>4</sub> and AgVO<sub>3</sub> used in the manuscript <strong>UV-Vis Spectroscopy</strong> Raw UV-Vis files for Ag<sub>3</sub>VO<sub>4</sub> and AgVO<sub>3</sub> used in the manuscript <strong>XRD</strong> Raw XRD files for Ag<sub>3</sub>VO<sub>4</sub> 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). <em>This</em><em> </em><em>study</em><em> </em><em>was</em><em> </em><em>financed in part</em><em> </em><em>by</em><em> </em><em>the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior – Brasil (CAPES) – Finance</em><em> Code 001.</em>