“…To date, several methods have been adopted for the solid-based band/electronic structure measurement and speculation, such as ultraviolet photoelectron spectroscopy (UPS) [28], flatband-potential-determination based photoeletrochemical techniques [29][30][31], atom's Mulliken electronegativity theory [6,27,[32][33][34][35][36][37][38] and density functional theory (DFT) calculation based on plane wave pseudo potential method [39][40][41]. The band-gap width, CB/VB of the catalysts series BiOX (X = F, Cl, Br, I) semiconductor were calculated by means of DFT method [42].…”