Theoretical investigation of electronic and piezoelectric properties of c -bn hybrid structures

Graphene and hexagonal boron nitride (h-BN) are promising two-dimensional materials for next generation electronics. Hybridization of the graphene with h-BN enables new materials with modified properties of graphene and BN for various applications. Piezoelectricity is one of these implementations, which enables to convert mechanical energy to electrical one or vice versa. Ab-initio based calculations are performed to detailed investigation of the h-BN hybridization effect on band gap and piezoelectricity of graphene. Our results show that different concentrations of h-BN doping facilitate the control on band gap and piezoelectricity of graphene. Direct band gap opening and tunability shows that these structures can be substitute silicon in solar cells. Comparable piezoelectric values with conventional bulk structures shows their promising applications in nanoscale electronics.