Science Advances

Supplementary Materials

This PDF file includes:

  • Experimental section
  • Gaussian simulation results
  • Optical properties of the PO molecules
  • Thermal and morphological properties of tBCzHxPO
  • Electrical properties of tBCzHxPO
  • Polarity variation of tBCzMxPO isomers
  • Device structure and electroluminescence process
  • Encryption mechanism
  • Device performance
  • Movie indicating the allochroic process
  • scheme S1. Synthetic procedure of tBCzHxPO.
  • scheme S2. Device structure and energy level diagram of the devices.
  • scheme S3. Encryption flow chart of EWPR-type memory based on irreversible AOLEDs.
  • fig. S1. Potential variation during conformation transformation of tBCzHxPO.
  • fig. S2. Involved molecular orbitals, contours, and contribution weights of S0→S1 transitions for tBCzHxPO and tBCzMxPO simulated by the NTO method.
  • fig. S3. Energy levels and contours of FMOs for tBCzHxPO.
  • fig. S4. Photophysical properties of tBCzHxPO and tBCzMxPO
  • fig. S5. Thermal and morphological properties of tBCzHxPO.
  • fig. S6. Electrical properties of tBCzHxPO.
  • fig. S7. Conformations of exo- and endo-type tBCzMxPO and the resulted polarity and energy variation during transformation by DFT and TDDFT simulations.
  • fig. S8. EQE versus luminance curves of the devices.
  • fig. S9. Correlations between emission peaks, driving voltage, operation time, and power density.
  • fig. S10. Performance repeatability of the allochroic TADF devices.
  • fig. S11. 1H nuclear magnetic resonance (NMR) spectrum of tBCzHSPO.
  • fig. S12. 13C NMR spectrum of tBCzHSPO.
  • fig. S13. 31P NMR spectrum of tBCzHSPO.
  • fig. S14. 1H NMR spectrum of tBCzHDPO.
  • fig. S15. 13C NMR spectrum of tBCzHDPO.
  • fig. S16. 31P NMR spectrum of tBCzHDPO.
  • table S1. Physical properties of tBCzHxPO.
  • table S2. EL performance of DMAC-DPS–based devices.
  • Legend for movie S1
  • References (34–38)

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Other Supplementary Material for this manuscript includes the following:

  • movie S1. (.mov format). Allochroic TADF diode.

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