Science Advances

Supplementary Materials

This PDF file includes:

  • section S1. Sample preparation and band characterization
  • section S2. Transient SFG spectrometer
  • section S3. Data acquisition, analysis, and calculations
  • section S4. Supplementary figures and tables
  • section S5. Frequency-resolved spectra of tr-VSFG under on- and off-resonance conditions
  • section S6. DFT calculation
  • section S7. Optical interference
  • fig. S1. Ultraviolet photoelectron spectroscopy on bare gold and P3HT/Au interfaces.
  • fig. S2. Band alignment between P3HT and gold, when they are in contact with each other.
  • fig. S3. σ1, σ2, and σ3 correspond to singular values of components a (red), b (blue), and c (black).
  • fig. S4. Simulation results of the two-interface model.
  • fig. S5. Fitting results of the pump-off and pump-on SFG spectra at both time zero and positive time delay.
  • fig. S6. Tr-VSFG dynamics of the control experiments.
  • fig. S7. Static VSFG of P3HT/Au, P3HT/SiO2/Au, and bare Au samples.
  • fig. S8. SVD and global analysis results comparison of tr-VSFG under on and offvibrational resonance conditions.
  • fig. S9. Density of states for structure 1 (left) and structure 2 (right).
  • fig. S10. Electronic orbital of SUMO (left) and HOMO (right) bands of P3HT/Au interfaces in structure 1.
  • fig. S11. Electronic orbital of LUMO (left) and HOMO (right) bands of P3HT/Au interfaces in structure 2.
  • fig. S12. Comparison between two fitting scenarios for SVD components.
  • table S1. Peak positions of scenario 1 for components a and b.
  • table S2. Peak intensity of scenario 1 for components a and b.
  • table S3. Peak width of scenario 1 for components a and b.
  • table S4. Parameters for nonresonance signal of scenario 1 for components a and b.
  • table S5. Parameters for scenario 2.

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