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Electronic structure of carbon nanotubes: AM1-RHF calculations

✍ Scribed by Şakir Erkoç; Lemi Türker


Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
362 KB
Volume
4
Category
Article
ISSN
1386-9477

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Atomic models of two single joints connecting (a) (9, 0) to (5, 5) and (b) (10, 0) to (6, 6) nanotubes have been constructed and relaxed on the computer using a molecular-mechanics model. Each connection is based on a pair of diametrically opposed pentagon and heptagon which bend the structure. The