Fig. 5: DFT calculations.

Calculated adsorption energies of (a) H₂O₂ on clean and O₂-covered TiO₂ (001), (100) and (101) surfaces, (b) O₂, (c) CH₃COOH and (d) molecular and dissociative CH₃OH adsorption on TiO₂ (001), (100) and (101) surfaces. Source data are provided as a Source Data file.