Quantum Chemistry Lab

The Quantum Chemistry Research group at the Department of Material Science of the University of Milano Bicocca has a consolidated experience in the study of the electronic structure and properties of oxide materials and nanostructures, and in particular oxide surfaces, defects and dopants in oxides, supported metal clusters and their reactivity, catalysis and photocatalysis, two-dimensional materials like ultrathin oxide thin films or oxide heterojunctions. 

To study these materials the group makes use of modern quantum chemistry approaches (cluster models) and periodic density functional theory methods (periodic supercell approach). Particular attention is given to the interaction with experimental groups and to the interpretation of spectroscopies (IR, IV-Vis, EPR, X-Ray absorption and photoemission, etc.) and microscopies (STM).