The mixed-phase titanium dioxide (TiO2) nanoparticles were prepared by two different methods; sonothermal (S) and sonothermal followed by hydrothermal (SH). The TiO2 prepared by SH has shown a superior hydrogen (H2) generation via photocatalytic splitting of water (H2O) and formic acid (FA) as well as photocatalytic reduction of carbon dioxide (CO2) to methanol (MeOH). The H2 production rate under UVA from H2O and FA was 0.02 and 3.91 mmol g−1 h−1 respectively while MeOH formation rate was 1.97 mmol g−1 h−1 from CO2. The DFT calculations of the reactants and products were also investigated.
- Adsorption energy
- DFT Calculations