title: Catalytic action of Ni atoms in the formation of carbon nanotubes: a molecular dynamics study.
abstract: Catalytic action of Ni atoms in the growth of single-wall carbon nanotubes is investigated using tight-binding molecular dynamics and ab initio methods. Our results demonstrate this to be a two step process in which the Ni atom first creates and stabilizes defects in nanotubes. The subsequent incorporation of incoming carbon atoms anneals the Ni-stabilized defects freeing the Ni atom to repeat the catalytic process.
authors.affiliation: Institute of Electronic Structure and Laser, Foundation for Research and Technology-Hellas, P.O. Box 1527, 71110 Heraklio, Crete, Greece. andriot@iesl.forth.gr
authors.forename: A N
authors.initials: AN
authors.lastname: Andriotis
authors.forename: M
authors.initials: M
authors.lastname: Menon
authors.forename: G
authors.initials: G
authors.lastname: Froudakis