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| Title
| - Charge and Nearly Free Electron Behaviors Induced by Strain in Carbon Nanotubes
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| Abstract
| - The nearly free electron (NFE) states of a single-walled carbon nanotube (SWCNT) can only downshift rapidly in energy relative to the other conduction bands, which were proposed for SWCNTs with p- or n-type doping. Previous explanations for this rapid downshift are hybridization with the potassium 4s states or a kind of electrostatic response. However, we show that a rapid upshift occurs in radially deformed SWCNTs. It is found that the charge-transfer effect rather than the so-called graphite interlayer interaction plays a key role in the change of electronic structure. In addition, total energy calculations indicate that the reactivity of a SWCNT can be tuned by radial deformation.
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| Alternative Title
| - Strain in Carbon Nanotubes
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