Electronic properties of heterostructures of graphene with boron, nitrogen and boron nitride – A first principles study

New graphene like 2D materials such as BN, MoS₂and WS₂have exotic electronic properties. Forming heterostructures of these 2D materials with graphene influence and alter the electronic character of graphene. But how the added 2D materials influence the electronic properties of graphene is not fully understood. We in this first principles study try to understand this problem and help the experimentalists to identify useful heterostructures. We have computationally designed the heterostructures of graphene by combining it with Boron, Nitrogen and Boron Nitride. Out of all the heteronanostructures designed, the Gra-BN heterostructure turns out to be interesting and has more applications than the other heterostuctures. This heterostructure behaves like a graphene and has improved electronic properties. Also this design paves way for the design of 3D graphene.