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Congo red is a hazardous material in the environment. The present work describes the synthesis of TiO2/CoC@SiO2-bipy (1) and TiO2/CoC@SiO2-phen (2) nanocomposites for the photodegradation of azo-dye Congo red (CR) dye in aqueous solution, by combining pure TiO2 with CoC@SiO2-bipy (s1) and CoC@SiO2-phen (s2) nanoparticles. The prepared nanocomposites were evaluated in term of photocatalytic activity rates in aqueous solution using CR. The nanocomposites TiO2/CoC@SiO2-bipy (1) and TiO2/CoC@SiO2-phen (2) were prepared from TiO2 (75%) and CoC@SiO2-bipy (s1) or CoC@SiO2-phen (s2) (25%) (weight ratio). Ultra-sonication and milling were used to prepare the heterogeneous nano catalysts. The pH, initial dye concentration, and catalyst dosage appeared to have a significant impact on the photocatalytic degradation performance. Molecular oxygen and other active species played a significant role in the photocatalyst degradation of CR with sunlight energy (UV-index 5.0). The chemical reactions were accelerated depending upon electrophilicity (ω) and energy gap (Eg) of azo dye species CR-N=N, CR-N=NH and CR=N-NH species which were calculated by density function theory (DFT). It can be concluded that the rate of electron–hole recombination of the TiO2 catalyst, when adding CoC@SiO2-bipy (s1) or CoC@SiO2-phen (s2), not only enhances the degradation but also effectively removes toxic dye molecules and their by-products. The newly prepared TiO2/CoC@SiO2-bipy (1) nanocomposites showed increased photocatalytic efficiency at low catalyst dose and faster rate of degradation of Congo red compared to TiO2/CoC@SiO2-phen (2) and TiO2 catalysts. The novel catalysts (1) and (2) can be easily separated by centrifugation and filtration, from the reaction mixture compared to TiO2.

Photodegradation of Congo Red by Modified P25-Titanium Dioxide with Cobalt-Carbon Supported on SiO2 Matrix, DFT Studies of Chemical Reactivity