Dr Filippo De Angelis
CNR-ISTM, Italy
filippo@thch.unipg.it

His main research topic resides in the development and application of quantum chemical methods to the study of the structural, electronic, reactive, spectroscopic and non-linear optical properties of complex systems including transition metal centers. Techniques rooted in Density Functional Theory (DFT) and Time-Dependent DFT are mainly applied to the field of Dye-Sensitized Solar Cells, to predict and interpret the electronic, spectroscopic and optical properties of organic and transition metal dyes, and to evaluate the alignment of their ground and excited state oxidation potentials with respect to the energy levels of metal oxides and of prototypical electrolytes. The interaction of dye sensitizers with nanostructured oxides and the evaluation of excited state coupling as well as modeling of electrolytes and/or hole transporting materials is also actively investigated.