DOI: 10.5281/zenodo.7676360
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 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.