Research Interest

Our research is focused on applying quantum chemistry to characterize molecular and electronic structures. We calculate the electronic, topological, optical, photovoltaics, and charge transport properties. The main research lines correspond to (a) Molecular optoelectronic for solar cells, (b) Electronic devices with single molecular junctions, (c) Mechanisms of dye photodegradation and Photodegradation of emerging contaminants in wastewater treatment, (d) Conductive metal-organic frameworks, (e) Counter electrodes for DSSC solar cells. The chemical systems studied include free and metal porphyrins, expanded porphyrins, phthalocyanines, organic dyes, nanocarbon materials (graphene, fullerene), semiconductors (TiO2, SnO2), and transition metal nanoparticles.