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Fig. 5. (Color online) (a) Schematic diagram of band energies for suitable polar materials for photocatalytic water splitting and (b) the anion orders in BaZrO2S. Color code: Ba = purple, Zr = cyan, O = red, S = yellow. (c) DFT + U band gaps and tetrahedral rotation angles for the most stable BaZryTi1–yO2S structures. Adapted with permission from Ref. [9]. Copyright 2019 The Royal Society of Chemistry.
New Phys.: Sae Mulli 2021;71:991~1003