Electronic properties of WS2 nanotubes have been studied using the Density Functional Based Tight Binding method (DFTB). We show that WS2 nanotubes are all semiconducting possessing a non zero moderate gap. Only for zig-zag (n, 0) nanotubes the band gap tends to vanish for very small tube diameters (<10 angstroms). The (n, n) tubes exhibit an indirect gap of similar size as the direct gap in (n, 0) nanotubes of comparable diameter.
All Science Journal Classification (ASJC) codes
- Condensed Matter Physics
- Materials Chemistry