Iron phthalocyanines on ultrathin alumina template.
Mohamed F., Corva M., Feng Z., Seriani N., Peressi M., Vesselli E.
The variety of applications of metal phthalocyanines (MPc) is a strong motivation to characterize their structure. Phthalocyanines (Pc) can accommodate a metal atom (M) in their tetrapyrrole cage, which can act as a biomimetic catalytic centre. These molecules adsorb on different surfaces and self-assemble in ordered structures, stable enough to provide optimal candidates to model single-atom catalysis. We focus here in particular on iron phthalocyanines on ultrathin alumina films. We characterize the ordered structures that can be formed depending on the coverage and on the presence of seeding Cu nanoclusters. The combination of $ab initio$ calculations and experiments allows to determine their relevant electronic properties and reactivity. We acknowledge financial support from University of Trieste through the program "Finanziamento di Ateneo per progetti di ricerca scientifica FRA 2016" and computational resources from CINECA through the ISCRA initiative and the agreement with the University of Trieste.