Abstract

The rise in toxicity related to cyanobacterial bloom in freshwater is a current problem that perturbs the trophic chain and risks the ecosystems and human health. Currently, the use of biomass as a potential source of value-added bio-products is an important goal to be achieved in the scope of a sustainable bio-economy. Thus, taking advantage of such bacteria is needed. In the present work, we studied the use of cyanobacterial biomass coming from the Malambo swamp in Colombia as a source of Phycocyanobilin (C-PC) and Chlorophyll-a (Chla) which were used as natural pigments for TiO2 thin films. The concentration obtained of C-PC and Chla extracted were 215 ?g/mL and 0.417 ?g/mL, respectively. We modeled the natural dye adsorption kinetics on TiO2 thin films through three different models. The Langmuir model showed the best fitting, indicating that the pigment extracted from cyanobacterial biomass can sensitize thin TiO2 film through the formation of a monolayer. Furthermore, the TiO2 films present higher adsorption of C-PC (25.8 mg/g) than Chla (23.3 mg/g). Finally, the adsorption modes were assessed using periodic DFT approximations, which is a remarkable method for studying the structure and properties of solid materials. In terms of binding energies, it was found that the dye shows the strongest interaction with TiO2 through the titanium atom. Thus, the main contribution of this work is directed to explore in deep the natural dye adsorption on TiO2 from both experimental and computational point of view. © 2024 Elsevier B.V.