Science Advances

Supplementary Materials

This PDF file includes:

  • S1. Basic theory of the sum-frequency generation
  • S2. Calculation of the surface phonon mode of anatase (101)
  • S3. Symmetry properties and spectral anistropy of the surface phonon mode onnatase (101)
  • S4. Adsorbed methanol on anatase (101)
  • S5. Calculation on the stability of oxygen vacancies on anatase (101) exposed to ambient gases
  • S6. The removal of hydrocarbon contaminants by UV-ozone treatments
  • fig. S1. The calculated in-phase and out-of-phase surface phonon modes near 880 cm−1
  • fig. S2. SFG spectra in the C–H stretching vibration range for adsorbed methanol on anatase (101).
  • fig. S3. Optimized surface structures of anatase (101) with various ambient molecules.
  • fig. S4. SFG spectra of anatase (101) in the C–H stretching vibration range for hydrocarbon contaminants before and after UV-ozone treatment.
  • table S1. Energy difference between VsurfO and VsubO of anatase (101) in different ambient environment.
  • References (37, 38)

Download PDF

Files in this Data Supplement: