Oxygen Vacancy Formation at Metal‒TiO₂ Interface Yielding Enhanced Photocatalytic Hydrogen Generation

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evolution reactions. The SMSI-like concept was extended to Pt, Pd, and Ag, in which the oxygen vacancy formation energy at the metal-semiconductor interface varied depending on the metal, as computed by DFT. The results suggest that photocatalytic activity is related to the ease of oxygen vacancy formation, which is influenced by the nature of the metals.