Fig. 4: Theoretical investigations of nanoparticle diffusion and atom escaping.
From: Sulfur stabilizing metal nanoclusters on carbon at high temperatures
a Energy barrier of Pt38 cluster desorption on S–Graphene and Graphene. b Escape energy of one selected atom (site 4) from the Pt38 cluster on S–Graphene and Graphene. c The selection of several other atoms at different positions for the escape energy calculations. d The escape energy of each atoms at different positions shown in (c). The higher energy barriers for both Pt38 migration and individual atom escaping on the S–Graphene substrate support the experimentally observed sinter resistance of Pt nanoclusters on S–C.
