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 e/Å3. (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. |