Edge Defects of Semiconductor Transition Metal Dichalcogenide Monolayers

Semiconductor transition metal dichalcogenide monolayers offer a variety of interesting optoelectronic properties.  However, electronic states at the edges of the these materials lead to non-radiative recombination, reducing their quantum efficiency and thereby diminishing optoelectronic performance. In this project, we use density functional theory to discover ways of doping the edges to minimize the effects of these “trap” edge states.