Band gap regulation and a selective preparation method for single-walled silicon carbide nanotubes

By using the first-principles density functional method, the electronic properties of single-walled silicon carbide (SiC) nanotubes were systematically studied, especially the band gap turning by the chiral angle and tube diameter. We propose a new strategy for preparing SiC nanotubes, which can be used to prepare single-walled SiC nanotubes with the expected band gap, named “selective shear suture method”. This research provides a new way to synthesize high-quality materials for nano-scale semiconductors, electrical devices and non-silicon-based chips. In particular, the selective defects in the preparation of single-walled nanotubes by electron beam cutting are theoretically solved. This study also provides useful theoretical guidance for the selective preparation of various single-walled nanotubes.