The RIXS spectra are dominated by multi-electronic effects and their modeling is usually achieved with semi-empirical techniques. Recent experimental RIXS studies of the oxygen K edge of TM oxide compounds suggest that this method enables to probe the optical excited states in close relation with optical spectroscopy. Because it relies on the bounding between the oxygen and the TM, multi-electronic effects and band mixings are intertwined and require advance computational methods.
The aim of this project is to study systematically the oxygen K edge RIXS in model TM oxides (e.g. TiO2, Fe2O3) and catalytically active TM compounds. Synchrotron-based experimental methods combined with state-of-art first principle calculations will be used in order to model the optical properties of relevant materials.
Special attention will be given to the research of the optimal computational technique that accounts for the multi-electronic effects in strongly correlated electron systems.
September 2006/ July 2011
• Language Diploma at Leonardo da Vinci High School, Umbertide (Perugia)
September 2011/ September 2014
• Bachelor in Chemistry, University of Perugia
• Bachelor thesis: “The CH4-H2O complex: molecular beam scattering experiments and ab initio calculations”.
• Supervisors: Professor Francesco Tarantelli and Professor Leonardo Belpassi
September 2014/ July 2016
• Master in Nanostructured Systems and Supramolecular Chemistry, part of the European Master in Theoretical Chemistry and Computational Modeling (EMTCCM), University of Trieste
• Six months abroad in Groningen for the master thesis on the study through DFT and TDDFT of quantum dots in collaboration with the University of Gent, Belgium.
• Supervisor: Professor Remco Havenith and Professor Mauro Stener
• PhD Candidate in Chemistry, Debye Institute for Nanomaterials Science, Inorganic Chemistry and Catalysis Univeristy of Utrecht.
• Supervisor : Professor Frank de Groot
Physical Review B, 101 (8), 2020, (cited By 0).
Oxygen K-edge X-ray Absorption Spectra Journal Article
Chemical Reviews, 2020, (cited By 0).
Physical Chemistry Chemical Physics, 22 (5), pp. 2685-2692, 2020, (cited By 0).
Journal of Chemical Physics, 151 (6), 2019, (cited By 2).
Physical Review B, 98 (3), 2018, (cited By 1).