  We report results of a multiscale simulation study of multilayer structures
consisting of graphene sheets with embedded Pt nanoparticles. Density
functional theory is used to understand the energetics of Pt-graphene
interfaces and provide reference data for the parameterization of a Pt-graphene
interaction potential. Molecular dynamics simulations then provide the
conformation and energetics of graphene sheets with embedded Pt nanoparticles
of varying density, form and size. These results are interpreted using a
continuum mechanical model of sheet deformation, and serve to parameterize a
meso-scale Monte Carlo model to investigate the question under which conditions
the free volume around the Pt nanoparticles forms a percolating cluster, such
that the structures can be used in catalytic applications. We conclude with a
discussion of potential applications of such multilayer structures.
