Molecular Simulation of the Nucleation and Growth of C60 Nanoparticles From the Supersaturated Vapor and From the Undercooled Liquid

Using molecular simulation, we study the molecular mechanisms underlying the nucleation and growth of C60 nanoparticles from the supersaturated vapor and from the undercooled liquid. We show that in both cases, nucleation proceeds through the formation of small clusters composed of the metastable hexagonal close-packed (HCP) polymorph. Finally, we observe two different types of growth leading either to crystallites dominated either by the metastable HCP polymorph or by the stable face-centered cubic (FCC) polymorph.