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Molecular dynamics simulation of carbon nanostructures: The C 60 buckminsterfullerene
Author(s) -
László István,
Zsoldos Ibolya
Publication year - 2012
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201200125
Subject(s) - buckminsterfullerene , fullerene , graphene , graphite , nanostructure , materials science , carbon fibers , carbon nanotube , molecular dynamics , chemical physics , nanotechnology , molecule , hexagonal crystal system , computational chemistry , crystallography , chemistry , composite material , organic chemistry , composite number
Molecular dynamics calculations can reveal the physical and chemical properties of various carbon nanostructures or can help to devise the possible formation pathways. In our days the most well‐known carbon nanostructures are the fullerenes, the nanotubes, and the graphene. The fullerenes and nanotubes can be thought of as being formed from graphene sheets, i.e., single layers of carbon atoms arranged in a honeycomb lattice. Usually the nature does not follow the mathematical constructions. Although the first time the C 60 and the C 70 were produced by laser irradiated graphite, the fullerene formation theories are based on various fragments of carbon chains and networks of pentagonal and hexagonal rings. In the present article various formation pathways for the buckminsterfullerene C 60 molecule will be presented.