Abstract
Graphene and hexagonal boron nitride (h‐BN) are promising 2D isostructural materials for next‐generation electronics. The hybridization of graphene with h‐BN enables new materials with modified properties for various applications. Piezoelectricity is one of these implementations, which enables to convert mechanical energy to electrical energy or vice versa. Herein, the effect of h‐BN hybridization on bandgap opening and piezoelectric property of graphene is examined in detail through ab initio‐based calculations. The results show that different concentrations of h‐BN doping facilitate the control on bandgap and piezoelectricity of graphene. Tunable direct bandgap opening indicates that these structures can be used in place of silicon in solar cells. Comparable piezoelectric values of carbon/h‐BN structures with conventional bulk piezoelectrics reveal the potential applications of these materials in nanoscale electronics.
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