Supplementary Material for Band Alignment of CoO(100)-Water and CoO(111)-Water Interfaces Accelerated by Machine Learning Potentials

The method of computational band alignment of the semiconductor-vacuum surface, computational models, the dataset of MLPs, the functional effect on Rutile TiO, (110), the experimental work function of CoO, electrostatic potentials of CoO(100)-clean and WZ-RS, the angular probability distributions of surface water, and band alignment details.