Formation of fullerene superlattices by interlayer bonding in twisted bilayer graphene

Based on first-principles density functional theory calculations, we report a novel class of carbon nanostructures consisting of superlattice arrangements of caged fullerene configurations of various sizes embedded within planes of twisted bilayer graphene. Formation of these structures is the outcome of interlayer C-C bonding between pairs of graphene planes chemically modified with certain patterns of chemisorbed hydrogen and rotated with respect to each other by angles around 30 degrees. A specific subclass of these nanostructures preserves the main features of the electronic structure of pristine single-layer graphene. Our study proposes possible functionalization strategies to systematically tailor the electronic properties of bilayer graphene. (C) 2012 American Institute of Physics. [doi:10.1063/1.3682475]