Figure 7
The band decomposed charge densities of the (a) BiOCl/BiOBr, (b) BiOCl/BiOI, and (c) BiOBr/BiOI heterostructures. The conduction band minimum (CBM) and valence band maximum (VBM) are shown on upper and low panel in blue-green color as well (the isovalue is 0.03 e/Å3). The violet, red, green, brown, and blue balls represent Bi, O, Cl, Br, and I atoms, respectively.
