Notwithstanding the difference between an eight-layer slab and multiwall nanotubes, the DFT calculations and experiments show similar trends for the variations of the band gaps. The change in the band gap does not vary linearly with the composition. The reduction of the band gap at x Se < 0.4 is quite significant compared to the reduction after x Se ≥ 0.4.
← all excerpts
Nanotubes from Ternary WS<sub>2(1-<i>x</i>)</sub>Se<sub>2<i>x</i></sub> Alloys: Stoichiometry Modulated Tunable Optical Properties.
1
—
—