Research Interest

The Theoretical Chemistry laboratory utilizes quantum chemistry to study materials in molecular and periodic configurations, as well as devices, with applications in energy production. Their main research lines are the electrode-dye interface for dye-sensitized solar cells (DSSCs), electronic devices with simple molecular junctions, conductive metal-organic frameworks (MOFs), and counter-electrodes for DSSCs. We investigate the electronic, optical, photovoltaic, charge-transfer, and charge-transport properties of various materials. The studied systems include porphyrins, phthalocyanines, organic dyes, carbon nanomaterials such as graphene and fullerenes, as well as metal oxides and nitrides, and nanostructures such as nanowires, nanoparticles, and nanotubes; pure and doped.