Electronic structure and reactivities of the perfect, defected, and doped single-walled carbon nanotubes
In this thesis, the electronic structure and reactivities of the perfect, defected, and doped single-walled carbon nanotubes (SWCNTs) have been studied by various theoretical methods, including density functional theory, semiempirical methods, and force fields. Among different defects of the SWCN...
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| Language: | English |
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2010
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| Online Access: | http://hdl.handle.net/2429/17695 |