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Simple Preparation of Self-Organized Single-Walled Carbon Nanotubes with Honeycomb Structures

โœ Scribed by H. Takamori; T. Fujigaya; Y. Yamaguchi; N. Nakashima


Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
649 KB
Volume
19
Category
Article
ISSN
0935-9648

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## Abstract Linearly conjugated benzene rings (acenes), beltโ€shape molecules (cyclic acenes) and model single wall carbon nanotubes (SWCNTs) were fully optimized at the unrestricted level of density functional theory (UB3LYP/6โ€31G\*). The models of SWCNTs were selected to get some insight into the