A Hybrid-DFT Study of Intrinsic Point Defects in $M{X}_2$ ($M$=Mo, W; $X$=S, Se) Monolayers

Alaa Akkoush, Yair Litman, Mariana Rossi

Defects can strongly influence the electronic, optical and mechanical properties of 2D materials, making defect stability under different thermodynamic conditions crucial for mater…