PRIN 2017 “FERMAT”

PRIN 2017 “FERMAT”

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Acronym: FERMAT.

Title: Fast ElectRon dynamics in novel hybrid organic-2D MATerials.

ICCOM Principal Investigator: Maria Caporali.

Project type: National.

Duration: 09/2019-19/02/2023.

Abstract: We will study electron transfer in hybrid organic-2D materials (2DM), aiming to unveil the fundamental processes responsible for exciton dynamics and charge separation, thus fostering the rational design of novel light-harvesting devices. We will focus on specific processes that limit the efficiency of organic electronics, photovoltaics, and photochemistry: exciton dynamics (migration, decay, dissociation, and funneling to photocatalytic centers), electron injection at the electrodes, and charge transport in the materials. Charge dynamics will be studied down to the fs time scale by state-of-the art spectroscopies, such as resonant photoemission and pump-probe techniques with laser and synchrotron radiation, while vibronic effects will be probed by non-linear optical spectroscopy. Advanced quantum-mechanical modelling based on (time-dependent) density-functional and many-body perturbation theories will help us characterize the materials and interpret the experimental data. Selected heterostructures will be based on novel 2DM such as phosphorene and borophene and novel 2DM stacks (graphene, dichalcogenides, hBN), suitably combined with biomimetic organic materials (e.g. tetrapyrroles), and we will also exploit micro- and nano-porous 2D graphene as compact scaffold.

ICCOM Participants: Maria Caporali, Elisa Passaglia, Matteo Ceppatelli.

Partnership: CNR IOM (Trieste), University of Trieste, SISSA (Scuola Internazionale Superiore di Studi Avanzati di Trieste), University of Genoa, University of Rome “La Sapienza”.

Financed by: MIUR (Project PRIN 2017).

Financial contribution (overall): 1.005.042 €.

Financial contribution (ICCOM): 76.702,20 €.

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