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 Cristiana Di Valentin Livia Giordano
thin films
defects in oxides
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.
Associate Professor at the Dep- artment of Materials Science. National coordinator of a Future in Research 2012 grant (Beyond graphene: tailored C-layers for novel catalytic materials and green chemistry: www.beyond-graphene.mater.unimib.it), local coor- dinator of a European FP VII project (Direct electrochemical oxidation reaction of ethanol) and of a Cariplo project (New heterojunction-based photocatalytic materials for solar energy conversion). Recently she was honoured with an ERC- Consolidator Grant 2014.
Livia Giordano graduated in Physics in 1997 at the University of Genoa and received the PhD in Materials Science at the University of Milano-Bicocca in 2001. While starting with an experimental activity, her research has then focused on first-principles calculations of metal-oxide interfaces, transition metal clusters on oxide surfaces and ultra-thin films. She is presently on sabbatical leave at MIT in Boston where she has a position as Visiting Assistant Professor.