Università degli Studi di Milano-Bicocca

Dipartimento di Scienza dei Materiali

Quantum Chemistry Lab

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Mission and Research Topics

supported clusters

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, two-dimensional materials like ultrathin oxide thin films or chemically modified graphene.

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).

Gianfranco Pacchioni Sergio Tosoni
thin films
defects in oxides
Pro-Rector for Research of the University of Milan Bicocca. For the period 2011-2013 he was chairman of the Division of Theoretical and Computational Chemistry of the Italian Chemical Society (SCI). He is a member of the National Academy of Lincei (Rome), the Academia Europaea (London), the European Academy of Science (Liege), and the Alexander von Humboldt Foundation.
Sergio Tosoni graduated in chemistry in 2003 at the University of Torino, where he also received his PhD in 2007. He worked as a post-doc at the Humboldt University in Berlin (2008-2011) and at the University of Barcelona (2011-2013). He has been working since then at the Department of Materials Science at the University of Milano Bicocca, where he was appointed research associate in 2016. His research focuses on oxides and oxide surfaces studied by means of first-principle calculations.