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Electronic structure and magnetic properties of 14N@C60 within single-walled carbon nanotube as peapods

โœ Scribed by Atsushi Suzuki; Takeo Oku; Kenji Kikuchi


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
782 KB
Volume
405
Category
Article
ISSN
0921-4526

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