Contacts:
Supervisor(s):
Prof. Marco Geppi
Title of the PhD project:
Solid state NMR spectroscopy for 'in operando' studies of photoactive materials for renewable energy
Abstract of the PhD project:
Over the last decade, research in photochemistry and photoactive materials applications has witnessed a nearly exponential growth. In particular, one of the fields of main interest is the study and development of photovoltaic materials capable of interacting with sunlight to produce clean, renewable energy. Despite this considerable increase in photochemical-related applications, studies focusing on structural and dynamic properties of photoactive materials are still sparse, although they are in high demand from the photochemistry community.
My PhD project will be focused on the development of Solid State-NMR (SSNMR) methods and instrumental equipment necessary for the complete characterization of different photoactive materials operating under illumination. The work will be carried out in collaboration with Bruker, a leading manufacturer of NMR instrumentation. The subsequent use of the developed methods and equipment in SSNMR experiments will try to achieve a deeper understanding of the influence of light irradiation on the structural and dynamic properties of the materials of interest. In particular, this project will focuses on inorganic-organic hybrid perovskites, a class of materials extremely promising for the development of economic solar cells with high energy conversion efficiency.
Publications:
• A. Scarperi; G. Barcaro; A. Pajzderska; F. Martini; E. Carignani; M. Geppi. Structural Refinement of Carbimazole by NMR Crystallography. Molecules 2021, 26, 4577
• Scarperi, A.; Carignani, E.; Martini, F.; Embs, J.P.; Wąsicki, J.; Barcaro, G.; Geppi, M.; Pajzderska, A. Different Dynamic Behavior of Methyl Groups in Crystalline Carbimazole as Revealed by a Multitechnique Experimental and Theoretical Approach. J. Phys. Chem. C 2023, 127, 5186−5196;
• Scarperi, A.; Landi, N.; Gabbani, A.; Jarmouni, N.; Borsacchi, S.; Calucci, L.; Pucci, A.; Carignani, E.; Pineider, F.; Geppi, M. Multinuclear solid state nuclear magnetic resonance for studying CsPbBr3 nanocubes. Pure Appl. Chem. 2023.
Oral communications at conferences:
• First Symposium for YouNg Chemists: Innovation and Sustainability, 20-23 June 2022, Department of Chemistry of the University of Rome La Sapienza, Italy. Oral communication: “Structure and Dynamics of Crystalline Carbimazole: exploring the powerful combination of Solid State NMR, Quasielastic Neutron Scattering, Molecular Dynamics and DFT”. Scarperi, A. ; Barcaro, G. ; Pajzderska, A. ; Martini, F. ; Carignani, E. ; Geppi, M.
• Italian-French International Conference on Magnetic Resonance, 27-30 September 2022, University of Milano-Bicocca, Milan, Italy. Oral Communication: “Structure and Dynamics of Crystalline Carbimazole: exploring the powerful of Solid State NMR, Quasielastic Neutron Scattering, Molecular Dynamics and DFT”. Scarperi, A. ; Barcaro, G. ; Pajzderska, A. ; Martini, F. ; Carignani, E. ; Geppi, M.
Poster communications at conferences:
• XXVII Congresso Nazionale della Società Chimica Italiana, 14-23 September 2021, via telematics.
Poster contribution: “Structure and Dynamics of Crystalline Carbimazole by NMR Crystallography and Relaxometry”. Scarperi, A. ; Barcaro, G. ; Pajzderska, A. ; Martini, F. ; Carignani, E. ; Geppi, M.
• XLIX National Congress on Magnetic Resonance, 8-10 September 2021, via telematics. Poster Contribution: “Structure and Dynamics of Crystalline Carbimazole by NMR Crystallography and Relaxometry”. Scarperi, A. ; Barcaro, G. ; Pajzderska, A. ; Martini, F. ; Carignani, E. ; Geppi, M. Selected for a short communication.
• CFF 2022 - Chemistry for the Future International Conference, June 29th – July 1st 2022, Chemistry and Industrial Chemistry Department, Via Giuseppe Moruzzi 13, Pisa, Italy. Poster Contribution: “SSNMR Spectroscopy Study of Cubic CsPbBr3 Perovskite Nanoparticles”. Scarperi, A. ; Landi, N. ; Carignani, E. ; Borsacchi, S. ; Jarmouni, N. ; Gabbani, A. ; Pineider, F.; Geppi, M.
• EUROMAR 2023, the 19th European Magnetic Resonance Congress, 9-13 July 2023, Glasgow, Scotland. Poster Contribution: “Unraveling the local structure in Mixed Halide Double Perovskites by means of 125Te SSNMR and DFT”. Scarperi, A.; Liu, Y.; Nicolson, A; Scanlon, D. O.; Palgrave, R. G.; Kubicki, D. J. Selected for a flash talk.
• 50th National Congress on Magnetic Resonance, 6-8 September 2023, Sapienza Università di Roma, Roma, Italy. Poster Contribution: “Multinuclear solid state nuclear magnetic resonance for studying CsPbBr3 nanocubes”. Scarperi, A.; Landi, N.; Gabbani, A.; Jarmouni, N.; Borsacchi, S.; Calucci, L.; Pucci, A.; Carignani, E.; Pineider, F.; Geppi, M. Poster Contribution: “Unraveling the local structure in Mixed Halide Double Perovskites by means of 125Te SSNMR and DFT”. Scarperi, A.; Liu, Y.; Nicolson, A; Scanlon, D. O.; Palgrave, R. G.; Kubicki, D. J.
Other achievements:
...
