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Alasdair A. M. Brown; Thomas J. N. Hooper; Sjoerd A. Veldhuis; Xin Yu Chin; Annalisa Bruno; Parth Vashishtha; Ju Nie Tey; Liudi Jiang; Bahulayan Damodaran; Suan Hui Pu; Subodh G. Mhaisalkar; Nripan Mathews, 2020, "Replication Data for: Self-assembly of a robust hydrogen-bonded octylphosphonate network on cesium lead bromide perovskite nanocrystals for light-emitting diodes", https://doi.org/10.21979/N9/GAPRHL, DR-NTU (Data), V1
In this work we employ a post-synthetic ligand exchange treatment with octylphosphonic acid to substitute the native oleic acid ligands on cesium lead bromide nanocrystals. Using solid-state NMR we proved that the introduced octylphosphonic acid ligands bound to the nanocrystal s... |
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The 13C cross-polarisation magic-angle spinning (CPMAS) NMR spectra of crystalline OPA and TOPO, and each CsPbBr3 NC sample. |
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Solution 1H NMR spectra of each CsPbBr3 NC solution. Asterisks (*) denote residual proton signals from the solvent (toluene-d8, toluene) and the antisolvents (ethyl acetate and acetonitrile). Observable broad resonances corresponding to protons in oleyl and octyl chains of the re... |
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CsPbBr3 NC characterization. (a) NC edge length distribution derived from small-angle X-ray scattering (SAXS). Inset: Photograph of OPA-2w CsPbBr3 NC dispersion (b) transmission electron microscopy image and (c) absorbance and PL spectra (λex = 365 nm), of an OPA-2w NC dispersion... |
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31P–1H HETCOR ssNMR spectra of (a) crystalline OPA reference, (b) CsPbBr3 NCs treated with OPA after ethyl acetate and (c) acetonitrile purification cycles, and (d) unpurified CsPbBr3 NCs synthesized using OPA and TOPO. The 1D 31P MAS NMR spectrum is shown above each 2D HETCOR sp... |
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CsPbBr3 NC LED device characteristics. (a) Band diagram, (b) current–voltage–luminance, (c) EQE/current efficiency against current density, and (d) power efficiency against luminance plots. CON denotes reference NC inks, OPA denotes OPA-treated inks; 1w and 2w denotes inks washed... |
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ATR FTIR spectra. (a) REF (solid) and OPA (dashed) NC samples for purified once (black) and twice (red). The C−O stretching region is shown. (b) Crystalline OPA (blue) and OPA NC samples after one purified cycle with 2:1 ethyl acetate (black) and after a second purification cycle... |
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Proposed attachment mechanism of octylphosphonic acid ligands to the surface of CsPbBr3 NCs (R = octyl, R’ =oleyl). The Pb–Br–Pb linkages represent corner sharing [PbBr6]4− octahedra of the perovskite lattice. |
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Photoluminescence spectra of (a) OPA−2w and (b) REF−2w CsPbBr3 NC solutions (concentration ≈ 0.05 mg mL-1) monitored over time. Insets show magnified sections of the same spectra at the emission maximum. |
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The purification and ligand exchange protocol employed herein. The green, blue and red arrows represent the NC isolation (0w), 1st purification (1w) and 2nd purification (2w) cycles, respectively. Also shown are the stages of the cycles at which precipitated samples were extracte... |
