Structures and Electronic Properties of
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Yang Bao-Hua; Wang Yang; Huang Yuan-He
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Article
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2005
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John Wiley and Sons
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English
⚖ 221 KB
👁 1 views
## 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