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Formation of Fullerene Molecules from Carbon Nanotubes: A Quantum Chemical Molecular Dynamics Study

✍ Scribed by Irle, Stephan; Zheng, Guishan; Elstner, Marcus; Morokuma, Keiji

Book ID
126245225
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
222 KB
Volume
3
Category
Article
ISSN
1530-6984

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Molecular dynamics with realistic many-body atomic potentials was used to study the growth of carbon nanotubes. Analysis of the bond switching and ring migration processes has led to an identification of tube growth mechanisms. Wide tubes, initially open, were found to grow straight maintaining an a