The band alignment of the clean surfaces that appear on the Wulff shape agrees well with the experimentally observed spatial separation of hydrogen and oxygen evolution facets. The band alignment of the basal (001) surface suggests good overpotential for the oxygen evolution reaction, while the side (101) and (211) surfaces exhibit sufficient overpotential for hydrogen evolution. As this study was done assuming the surfaces are in vacuum, rather than in a aqueous medium, more future work would be needed to confirm the alignment in solution.