Bending manipulation induced sp²-sp³ bond transition in carbon nanotubes

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 sp ³ 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.