title: Self-assembly of graphene nanostructures on nanotubes.
abstract: We demonstrate by molecular dynamics simulations that carbon nanotubes can activate and guide on their surfaces and in their interiors the self-assembly of planar graphene nanostructures of various sizes and shapes. Nanotubes can induce bending, folding, sliding, and rolling of the nanostructures in vacuum and in the presence of solvent, leading to stable graphene rings, helices, and knots. We investigate the self-assembly conditions and analyze the stability of the formed nanosystems, with numerous possible applications.
authors.affiliation: Department of Chemistry, University of Illinois at Chicago, Chicago, Illinois 60607, United States.
authors.forename: Niladri
authors.initials: N
authors.lastname: Patra
authors.forename: Yuanbo
authors.initials: Y
authors.lastname: Song
authors.forename: Petr
authors.initials: P
authors.lastname: Král
mesh_terms: D003198:Computer Simulation; D006108:Graphite / Q000737:chemistry*; D046911:Macromolecular Substances / Q000737:chemistry; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D043942:Nanotubes / Q000737:chemistry* / Q000648:ultrastructure*; D010316:Particle Size; D013499:Surface Properties
chemical_list: D046911:Macromolecular Substances; D006108:Graphite