Journal
PHYSICAL REVIEW LETTERS
Volume 85, Issue 15, Pages 3193-3196Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.85.3193
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Catalytic action of Ni atoms in the growth of single-wall carbon nanotubes is investigated using tight-binding molecular dynamics and nb 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.
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