Defects in 2D Materials:
An Ab Initio Perspective on Electronic, Structural, Optical, and Magnetic Properties
Prof. Biplab Sanyal
Department of Physics and Astronomy, Uppsala University, Uppsala (Sweden)
Defects play many important roles in controlling properties of 2D materials. Moreover, they manipulate significantly the properties of adatoms, clusters, and molecules attached to them. In this talk, I will discuss the influence of defects on structural, electronic, optical, and magnetic properties of 2D materials, such as, graphene, h-BN, and transition metal dichalcogenides on the basis of first-principles electronic structure calculations. The theoretical results will be compared with experimental data, wherever available.