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20072009
most citedA tight-binding potential for atomistic simulations of carbon interacting with transition metals: Application to the Ni-C system

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cond-mat.mtrl-sci2007

A Tight-Binding Grand Canonical Monte Carlo Study of the Catalytic Growth of Carbon Nanotubes

Hakim Amara, Christophe Bichara, François Ducastelle

The nucleation of carbon nanotubes on small nickel clusters is studied using a tight binding model coupled to grand canonical Monte Carlo simulations. This technique closely follow…