Download or read book Functionalized Semiconducting Oxides Based on Bismuth Vanadate with Anchored Organic Dye Molecules for Photoactive Applications written by Karolina Ordon and published by . This book was released on 2018 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The search for new materials as photocatalysts invisible light for the depollution of the environment (waters, atmospheres) is a very active field of research and attracts the interest of a large scientific community in Physics, Chemistry and Materials Science. Recent research developpements are conducted to improve the photocatalytic efficiency of certain classes of known photoactive materials, and to develop the synthesis of new functional materials. In this context, photoactive oxide semiconductors based on bismuth vanadate (BiVO4) having an electronic band in the middle of the visible spectrum, offer a serious alternative to efficient conventional photocatalysts (TiO2, ZnO) whose photo-excitation requires only the UV fraction of the solar spectrum.The work done in this thesis is therefore dedicated toBiVO4-based materials in the form of mesoporous architectures or hybrid assemblies associating organic groups with charge transfer processes. Two major contributions have been developed, one of which is the experimental realization of novel mesoporous architectures, functionalized by sensitizing organic groups and the study of their electronic and optical properties in order to optimize their photocatalytic efficiencies. The second part deals with numerical simulations of hybrid nanostructures using approaches as the DFT method, ab-initio or quantum chemistry codes. Model systems have been constructed associating BiVO4nanoclusters (NC) and organic groups (GO). The electronic and optical properties as well as the structural and vibrational characteristics of the systems (NC-GO) were determined and compared with the experimental data. The charge transfer phenomena involved between the organic groups and the inorganic structure were characterized as well as their role in the efficiency of photo-catalytic responses of hybrid systems.