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In this theoretical study we investigate the electronic, optical, and photocatalytic properties of monolayer titanium dioxide (TiO2), nickel dioxide (NiO2), and germanium dioxide (GeO2), as well as the effects of strain and stacking on these monolayers. The first principle calculations were performed using density functional theory (DFT) to determine the band structure, density of states, and optical properties of the monolayers. The photocatalytic activity of the monolayers was evaluated based on the water-splitting reaction. The results showed that the electronic and optical properties of the monolayers were significantly affected by strain and stacking. Specifically, the bandgap of TiO2, NiO2, and GeO2 decreased under tensile strain, while it increased under compressive strain. Furthermore, the stacking order of the monolayers affected their electronic and optical properties. The photocatalytic activity of the monolayers was found to be highest for TiO2. This study provides a valuable insight into the properties of monolayer oxides TiO2 and GeO2 and their van der Waal heterostructure GeO2–TiO2 as a potential candidate for photocatalytic water splitting. [ABSTRACT FROM AUTHOR]