Van der Waals heterostructure of phosphorene and hexagonal boron nitride: First-principles modeling
Zhang Peng, Wang Jing, Duan Xiang-Mei†,
       

(a) Top and side views of P on top of BN. The dark-magenta, light-pink, and blue balls represent phosphorus, boron, and nitrogen atoms, respectively. (b) Evolution of the total energy as a function of the displacement δ of the phosphorene layer relative to BN, taking the origin at the lowest energy configuration. (c) Binding energy as a function of the distance dP/BN.