Charge transfer due to defects in hexagonal boron nitride/graphene heterostructures: an ab initio study

Madhava Krishna Prasad, Oras A. Al-Ani, Jonathan P. Goss +1

Using density functional theory (DFT), we study charge transfer between hexagonal boron nitride (h-BN) point defects and graphene in h-BN/graphene heterostructures for a range of i…