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Table · dataset · 2020

Data for Investigating the structure-function relationship in triple cation perovskite nanocrystals for light-emitting diode applications

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Organic metal halide perovskite nanocrystals are promising candidates for light-emitting diodes due to their narrow emission bandwidth, high photoluminescence quantum yield (PLQY), and color tunability.

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Nevertheless, these systems suffer from thermal instability, phase impurities, and a sensitivity to processing techniques. This study reports the first synthesis of novel Cs-containing triple cation perovskite nanocrystals with nominal stoichiometry Csx(MA0.17FA0.83)1−xPbBr3 (x = 0–0.15).

The effect of Cs+ cation incorporation is thoroughly investigated using diffraction, microscopy and solid state MAS NMR techniques. The solid state 133Cs MAS NMR results reveals the distribution of the Cs+ cations is highly concentration and particle size dependent, with maximized surface/subsurface Cs+ concentrations being achieved with the smaller 5 mol% Cs system. These characteristics directly correlate improved surface passivation and environmental stability of the triple cation system.

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These triple cation nanocrystals exhibit a maximum photoluminescence quantum yield of ∼93% which upon translation to nanocrystalline LED devices delivers a maximum EQE of 7.4% (30 cd A−1) corresponding to a power efficiency of 34.87 lm W−1. This performance represents a marked improvement compared to CsPbBr3 nanocrystals (PL quantum yield ∼50%; maximum EQE of 2.5% (7.2 cd A−1)) fabricated under similar conditions.<br><br>Data record consists of a zip archive, organised into sub-folders, and an accompanying readme file.

Sub-folders are named and organised according to the experiments they contain. The sub-folders are as follows: 1. LED EQE Data (Origin and Excel ASCII data) 2.

LED Stability (Origin ASCII data) 3. NMR (8 subfolders [format: XX_Date of collection_YY], organised according to the nucleus [XX] and sample/experiment [YY]) 4. Optical Properties (Origin ASCII data, sample photo, and 3 subfolders containing raw data files) 5.

XRD (Origin ASCII data and .xy files) Further information on specific data files can be found in the accompanying readme file.

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