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Free keywords:
Ground-State; Solid C-60; Mechanism, C60
Abstract:
The interaction of C-60 with single-wall carbon nanotubes (SWNTs) and graphite is studied experimentally by thermal desorption spectroscopy and theoretically by molecular-mechanics and molecular-dynamics calculations. The van der Waals parameters and force field for C-60-graphene and C-60-SWNT interactions are derived from the low-coverage C-60 binding energy to the graphite surface. We use these to compare the efficiency of different mechanisms by which C-60 can be encapsulated into SWNTs.