(A) Atomistic model, (B) computed band structure, and (C) density of states of the WO₃ slab with three kinds of surface V_O^•• (the ratio of V_O^•• and O atoms is 7.3%). (D) Atomistic model, (E) computed band structure, and (F) density of states for the WO₃ slab without surface V_O^••. (G) The calculated density of states, (H) distribution of charge density, and (I) charge density contour plots at the CB edge for BiOBr atomic layers. (J) The calculated density of states, (K) distribution of charge density, and (L) charge density contour plots at the CB edge for V_O^••-rich BiOBr atomic layers. (A–F) Adapted with permission from Ref. [53], copyright 2018 Elsevier; (G–L) adapted with permission from Ref. [55], copyright 2018 Wiley-VCH.