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Title: ChiroOptics & Catalysis of Atomically Precise Metal NanoClusters.

ICCOM Principal Investigator: Alessandro Fortunelli.

Project type: National.

Duration: 28/09/2023 – 27/09/2025.

Abstract: Monolayer-protected metal nanoclusters constitute an emerging class of atomically precise nanomaterials that provide enormous opportunities for both fundamental investigations and breakthrough technological applications. However, realizing their promises is presently hindered by the lack of predictive computational tools for dynamics and response. The CNR and UNITS Italian public-research-center/public-university collaborators have pioneered novel methods approaching chemical accuracy in structural modeling, optical spectroscopy and analysis, which have been successfully employed to understand, and rationally design, novel chiro-optical (plasmonic) systems. Within the ChiroOptics & Catalysis of Atomically Precise Metal NanoClusters (COCAP) project, the proposers will progress to a higher level by developing advanced methods to achieve much needed computationally feasible and quantitatively accurate predictions of the dynamics and response of large systems, in terms of complex chemical bonding at the metal/sulfur interface, configurational sampling of ligand conformations, and simulation of chiro-optical response.

Partnership: CNR-ICCOM, University of Trieste.

ICCOM participants: Alessandro Fortunelli, Giacomo Melani.

Financed by: Projects MUR PRIN2022, project code no. 20228KYLZB.

Project overall budget: 199.996,00 €.

ICCOM budget: 102.184,00 €.

Categories: Active projects