Research Interest

The Theoretical Chemistry laboratory utilizes quantum chemistry to study molecular and electronic structures in molecular, periodic, and device configurations. Its main research lines are molecular optoelectronics for dye-sensitized solar cells (DSSCs), electronic devices with simple molecular junctions, conductive metal-organic frameworks (MOFs), and counter-electrodes for DSSCs. We investigate electronic, optical, photovoltaic, thermodynamic, charge transfer, and charge transport properties in various materials. The studied systems include porphyrins, phthalocyanines, organic dyes, carbon nanomaterials such as graphene and fullerenes, as well as metal oxides and nanostructures like nanowires, nanoparticles, and nanotubes.