Research Interest

Our research is focused on the application of quantum chemistry to characterize the molecular and electronic structures, predict the chemical reactivity, and to determine photovoltaics and charge transport properties. The main research lines are applied to free and metal porphyrins, expanded porphyrins, phthalocyanines, organic dyes, nanocarbon materials (graphene, fullerene), semiconductors (TiO2, SnO2) and transition metal nanoparticles.
These correspond to: (a) Molecular optoelectronic for solar cells, (b) Molecular electronic devices with single molecular junctions, (c) Mechanisms of dye photodegradation and Photodegradation of emerging contaminants in wastewater treatment, (d) Rational design of conductive metal-organic frameworks, (e) Counterelectrodes for DSSC solar cells.