Interaction of C60 with carbon nanotubes and graphite

Phys Rev Lett. 2003 Mar 7;90(9):095501. doi: 10.1103/PhysRevLett.90.095501. Epub 2003 Mar 3.

Abstract

The interaction of C60 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 C60-graphene and C60-SWNT interactions are derived from the low-coverage C60 binding energy to the graphite surface. We use these to compare the efficiency of different mechanisms by which C60 can be encapsulated into SWNTs.