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Atomic structure and electronic properties of nanopeapods: Isomers of endohedral dititanofullerenes Ti2@C80in carbon nanotubes

✍ Scribed by A. N. Enyashin; A. L. Ivanovskii


Book ID
110180411
Publisher
SP MAIK Nauka/Interperiodica
Year
2006
Tongue
English
Weight
413 KB
Volume
51
Category
Article
ISSN
0036-0236

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## Abstract The structures and electronic properties for C~36~ encapsulated in four single‐wall armchair carbon nanotubes (C~36~@(__n__,__n__), __n__=6‐9) were calculated using ab initio self‐consistent field crystal orbital method based on density functional theory. The calculations show that the