Understanding the nucleation mechanisms of Carbon Nanotubes in catalytic Chemical Vapor Deposition

Details Understanding the nucleation mechanisms of Carbon Nanotubes in catalytic Chemical Vapor Deposition Understanding the nucleation mechanisms of Carbon Nanotubes in catalytic Chemical Vapor Deposition

2007-12-05

arxiv.org/abs/0712.0748v1

Physics

Condensed Matter

Materials Science

Scientific paper

10.1103/PhysRevLett.100.056105

The nucleation of carbon caps on small nickel clusters is studied using a tight binding model coupled to grand canonical Monte Carlo simulations. It takes place in a well defined carbon chemical potential range, when a critical concentration of surface carbon atoms is reached. The solubility of carbon in the outermost Ni layers, that depends on the initial, crystalline or disordered, state of the catalyst and on the thermodynamic conditions, is therefore a key quantity to control the nucleation.

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