Abstract
Introducing sp3 bonds in carbon nanotubes can significantly modify their electronic properties but need high pressure at room temperature. Here we show by molecular dynamics simulations that sp2 to sp3 bond transition can be realized through bending manipulation at the buckling location, resembling that of nanoindented carbon nanostructures but with more convenient operation technique. The capability of sp3 bond formation is sensitive to the thickness and diameter of the carbon nanotubes. This bending induced sp3 structures can serve as tunneling junction for electrons, thus bending manipulation could be a route to tailoring nanocircuits.
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