Decontamination of Water by Photocatalysis with Semiconductor Materals : Tracking the proton charges during the reaction of water (reduced) with added electron and with positive charge (oxidized) o...

The type of calculations and results reported in this study are merely exploring a certain strategy related to the reduced water / oxidized water molecules producing free radicals which in turn react with organic dyes which are the polluting small molecules in the effluent water. Such radical reactions resulting in degradation of the dye molecules to elemental O2 and H2 with production of CO2 all which evolve during the decontamination. The study of hydrated electron by ESR studies are worth a recollection at this juncture. This strategy can be easily amenable for beginners to do such calculation of how exactly the electronic charge get transferred from one water molecule to another and the typical stages at which radicals are produced. Cumulatively these results can provide a way to improve the efficiency of bulk medium processes and the effective mineralization of organic molecules instead of the partial degradation to result in fragmented molecules.