Structure of boron nitride nanotubes: tube closing versus chirality

摘要: Abstract The structure of boron nitride nanotubes is investigated using a generalized tight-binding molecular dynamics method. It shown that dynamic relaxation results in wave-like or `rippled' surface which the B atoms rotate inward and N move outward, reminiscent III–V semiconductors. More importantly, three different morphologies tube closing with flat, conical amorphous ends, as observed experiments, are to be directly related chiralities.