Chapter 8 Thermal stability of carbon nanosystems: Molecular-dynamics simulations

摘要: Publisher Summary This chapter presents some example calculations regarding the stability of various C nanostructures under heat treatment. In experimental investigations discussed, interaction 60 molecule with silicon surfaces has focused on identifying bonding sites and their strength as well decomposition these molecules at elevated temperatures. The reviews two surfaces, Si(100), Si(111), by method annealing. Nanotoroid is an interesting nanocage structure. nanostructure encloses a specific volume, which toroidal. nanotoroidal geometry described plane formed hexagons being mapped surface torus. However, to reduce torsion positively curved outer wall negatively inner wall, pentagons heptagons must be introduced respectively in place hexagons. necessity for pairs gets smaller radius increases, where point hexagon-only nanotori are possible.