Atomistic Simulations of Fe(CO) ₅ Fragmentation Dynamics on a Substrate

is similar across the considered substrates but is influenced by the strength of its binding to the substrate and by the structural irregularity of the substrate, which enables the molecule to adopt various orientations. The results of this study have implications for atomistic simulations of nanostructure formation using focused electron beams and for the interpretation of surface-science experiments involving the irradiation of molecular systems with electron beams.