Effect of defects on the electronic properties of WS2 armchair nanoribbon

We have studied the WS2 armchair nanoribbon with various defects like vacancy, edge roughness, twist, turn and ripple and compared how the bandgap changes due to such defects with the bandgap of a nanoribbon with no defects. Materials like WS2 and other transition metal dichalcogenides (MX2) have a graphene like layered structure with hexagonal rings and have properties that have attracted a lot of interest. Hence it is essential to study the changes in the band structure of the nanoribbon of WS2 due to the inclusion of defects like vacancy, rough edge, wrap, ripple and twist for making any device based on WS2.