The effects of Ni-loading on TiO2nanoparticles can pronouncedly reduce the barriers for dissociation of H2from 48 kcal/mol on the pure TiO2to as low as 1–3 kcal/mol on the loaded samples facilitating the hydrogenation of NPs. Preliminary data of our test indicate that the hydrogenation of Ni-loaded TiO2 NPs results in a significant UV–visible absorption extending well beyond 750 nm with an increase in water splitting efficiency by as much as 67 times over those of pure and hydrogenated TiO2 NPs without Ni-loading under our mild hydrogenation condition using 800 Torr of H2at 300 °C for 3 h.
- Ni catalysis
- Quantum chemical calculations
- Water splitting