Single-Walled Boron Nitride Nanotubes with Adjustable Ultrawide Bandgaps: Four-, Six-, and Eight-Membered Rings and Their Controllable Preparation

Based on existing experimental and theoretical studies, and guided by the concepts of isomerism and isomorphism, this paper proposes a novel type of boron nitride nanotube derived from a generalized model of borazine and single-walled boron nitride nanotubes with periodic incorporation of tetracyclic rings. A controllable preparation method of 468-ring single-wall boron nitride nanotubes was designed, which was called the "folding and shear slit method." The results show that the single-wall boron nitride nanotubes have high structural stability and an ultra-wide band gap of about 5.3739 eV. In particular, the controllable preparation can be achieved by using the "split shear slit method", which can accomplish the selective preparation of the band gap and direct properties of the 468-ring single-wall boron nitride nanotubes through the control of tube diameter and type.