Science Advances

Supplementary Materials

This PDF file includes:

  • Details for DFT simulations
  • Fig. S1. Structures used in DFT simulations.
  • Fig. S2. Binding energy calculation.
  • Fig. S3. Structures used in molecule dissociation energy calculation.
  • Fig. S4. Density of states and band structure.
  • Fig. S5. Surface roughness of perovskite films.
  • Fig. S6. XRD pattern of the DJ structure perovskite with BAB33.
  • Fig. S7. GIWAXS pattern of DJ structure perovskite films.
  • Fig. S8. TA spectra study.
  • Fig. S9. XPS and UPS of the DJ structure perovskite.
  • Fig. S10. Perovskite film thickness and device statistics.
  • Fig. S11. Device performance in ambient air.
  • Fig. S12. In situ PL study.
  • Fig. S13. Stability analysis.
  • Table S1. The summarized crystal structure parameters of various calculated perovskite phases.
  • Table S2. The summarized binding energy of the perovskite based on different ligands.
  • Table S3. The summarized perovskite LED stability.

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