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Highly stable hybrid perovskite light-emitting diodes based on Dion-Jacobson structure

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Science Advances  16 Aug 2019:
Vol. 5, no. 8, eaaw8072
DOI: 10.1126/sciadv.aaw8072
  • Fig. 1 DFT simulation of perovskites.

    (A) Schematic of four-layer structures of BAB-FAPbI3 and PEA-FAPbI3, dissociation of ligands, and van der Waals force between PEA molecules. (B) Calculated binding energies between PbI6-BAB, PbI6-PEA, and PEA-PEA. (C) Calculated molecule dissociation energy of the perovskites based on BAB and PEA.

  • Fig. 2 Properties of DJ structure perovskite films.

    (A) Scheme of BAB-FAPbX3 phases. The blue ball is FA, the cyan square is PbX6 octahedron, and the molecule is BAB. (B) Absorption and photoluminescence (PL) of BAB33 film. (C) Excitation intensity–dependent PL QY of BAB33 film. a.u., arbitrary units.

  • Fig. 3 GIWAXS pattern of perovskite films with varied ligands.

    (A) 33% and (B) 80% of BAB ligand (BAB33 and BAB80, the incidence angles are 0.2°). (C) GIWAXS pattern of the BAB33 perovskite film with incidence angles equal 1°. (D) XRD pattern from GIWAXS. The value of q can be obtained from the XRD pattern, and the corresponding interplane spacing d is 1.13, 1.69, and 2.20 nm for BAB, PEA, and NMA, respectively.

  • Fig. 4 TA spectra of DJ structure perovskite films.

    TA spectra of (A) BAB33 and (C) BAB25 perovskite film. Scheme of the qualitative ratio of components with varied n value in (B) BAB33 and (D) BAB25 perovskite film and energy transfer process. The direction of the arrow represents the energy transfer. The relative ratio of multilayered structure and the energy transfer efficiency are increased as the decrease in BAB ratio. OD, optical density.

  • Fig. 5 Characteristics of DJ structure perovskite LEDs.

    (A) Device structure. (B) Normalized electroluminescence spectra of hybrid DJ structure perovskite LEDs with varied ligand additive. (C) Current density–voltage-radiance curves and (D) EQE curve of hybrid DJ structure perovskite LEDs.

  • Fig. 6 Stability analysis of DJ structure perovskite LEDs.

    (A) Operational lifetimes and (B) peak position of DJ structure perovskite–based LEDs at a constant current density of 25 mA cm−2 for 100 hours. (C and D) TAS of BAB-based DJ structure perovskite film before and after continuous operation. (E and F) TAS of PEA-based RP structure perovskite film before and after continuous operation. The intensity of the bleaching peak at 485 nm is increased, and the peak at 770 nm is slightly blue shifted.

  • Table 1 The summary of DJ structure perovskite LED performance with varied BAB ratios.

    BABMax radiance
    (W sr−1 m−2)
    Max EQE (%)Average EQE (%)
    14%1.581.631.2
    25%88.55.24.2
    33%33.92.421.8

Supplementary Materials

  • Supplementary material for this article is available at http://advances.sciencemag.org/cgi/content/full/5/8/eaaw8072/DC1

    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.

  • 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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    Files in this Data Supplement:

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