Figure 1: Analysis of the CNT growth stages.
From: Atomic scale simulation of carbon nanotube nucleation from hydrocarbon precursors
(a) Evolution of the CNT cap nucleation process up to 6.8 × 107 (+2 × 106 MC) MD-steps; Ni, C and H atoms are coloured light green, blue and red, respectively; (b) evolution of the k-coefficient and the number of C atoms (including dissolved Cdis and sp-hybridized Csp carbon atoms) and H adatoms on and in the catalyst nanocluster as a function of the simulation time; (c) evolution of vertical (free-standing), horizontal (adsorbed on the nanocluster) and total number of carbon rings as a function of the simulation time.
