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

Decomposed charge distributions of (a) CBM and (c) VBM in the yz plane for the P/BN heterostructure. The yellow represents the charge distributions of CBM and VBM with an isovalue of 0.01 e3. (b) Planar-averaged differential charge density δρ(z) (black) and the amount of transferred charge δQ(z) (blue) in the hybrid P/BN nanocomposite at equilibrium distance in the z direction.