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Imaging the symmetry breaking of molecular orbitals in single-wall carbon nanotubes

✍ Scribed by Lin, H.; Lagoute, J.; Repain, V.; Chacon, C.; Girard, Y.; Ducastelle, F.; Amara, H.; Loiseau, A.; Hermet, P.; Henrard, L.; Rousset, S.


Book ID
120185770
Publisher
The American Physical Society
Year
2010
Tongue
English
Weight
830 KB
Volume
81
Category
Article
ISSN
1098-0121

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## Abstract The mechanism of the nucleation and formation of single‐walled carbon nanotubes (SWNTs) was investigated using molecular dynamics simulations. When the initial state was chosen so that carbon and nickel atoms were randomly distributed in a simulation domain, the formation of a random ca