Abstract

Goal: understanding biomimetic catalyzers formed by cobalamin (vitamin B-12) deposited on various 2D substrates, in particular the energy transfer mechanism and the effects of the second coordination sphere of neighbors around the active metal site.

Specific activity in Udine: determination of the minimal cell suitable for realistic numerical simulations, using DFT methods, of the structural, electronic, spectroscopic properties of our system. Comparison with experimental results. Study of the interactions with O2, water, CO_x, determination of possible catalytic processes and of their barriers.

Partenariato

• Università degli Studi di Udine (PI)
• Università degli Studi di Trieste

Importo del progetto

Importo totale del progetto        Euro 277,789
Importo del progetto Uniud        Euro 113.960
Finanziamento Uniud                Euro

Durata

• Data avvio progetto 01/12/2023
• Data conclusione progetto 30/11/2025

Link

Sito di progetto