The conditions for self-organised formations of carbon nanotubes from two parallel graphene ribbons were studied in a density functional adjusted tight binding molecular dynamics simulation. We have found that the seemingly trivial process is significantly limited by the thermal motion of the carbon atoms. There are further difficulties as well, primarily the unfavourable position of the atoms at the edges of the zigzag graphene ribbons. In repeated molecular dynamics runs we analysed the conditions of perfect coalescences, the influence of the substrate and the impact of the zigzag graphene ribbon positions. We have obtained that contrary to the abovementioned unfavourable conditions perfect nanotube production can be obtained using substrates. As the positioning of the substrate can be made with piezoelectric devices, this can significantly help the experimental realisation of the nanotube formation as well.

The self-organised formation of C₆₀ and C₇₀ from well designed graphene patterns was proved by molecular dynamic simulations. In this paper graphene nanopattern models are shown which can be used for self-organised formations of larger fullerene molecules. The rules of building of the nanopatterns are defined. Examples are shown for the self-organised processes in case of larger fullerene molecules.