Catalytic Action of Ni Atoms in the Formation of Carbon Nanotubes: A Molecular Dynamics Study
Journal Article
·
· Physical Review Letters
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.
- Sponsoring Organization:
- (US)
- OSTI ID:
- 40205866
- Journal Information:
- Physical Review Letters, Vol. 85, Issue 15; Other Information: DOI: 10.1103/PhysRevLett.85.3193; Othernumber: PRLTAO000085000015003193000001; 001041PRL; PBD: 9 Oct 2000; ISSN 0031-9007
- Publisher:
- The American Physical Society
- Country of Publication:
- United States
- Language:
- English
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