▎ 摘　　要

The structural and electronic properties of new nanotubes formed by rolling up a single layer S-graphene are studied using density functional theory. The S-graphene nanotubes with different chiralities and diameters are considered. The ab initio molecular dynamics study reveals that zigzag S-graphene nanotubes can be stable at room temperature, whereas armchair S-graphene nanotubes are not stable thermally. The thermal stability of zigzag S-graphene nanotubes is also confirmed by calculation of their cohesive and formation energies. The considered zigzag S-graphene nanotubes show metallic or semiconducting properties depending on their size. The band gap of zigzag S-graphene nanotubes with semiconducting properties decreases with increasing the tube size. Our results indicate that rolling up two-dimensional carbon allotropes can provide new nanotubes with broad applications in nanoelectronics.