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oai:figshare.com:article/33801958 2026-09-15T15:11:04Z portal_1197 item_type_3 month_year_09_2026

Data for Investigating the structure-function relationship in triple cation perovskite nanocrystals for light-emitting diode applications Parth Vashishtha (3922286) Sjoerd A. Veldhuis (1705363) Sai S. H. Dintakurti (4591009) Nicole L. Kelly (6307472) Benjamin E. Griffith (6034271) Alasdair A. M. Brown (10492879) Mohammed Suhail Ansari (24942514) Annalisa Bruno (1415371) Nripan Mathews (1356642) Yanan Fang (1551445) Subodh G. Mhaisalkar (1775722) John V. Hanna (1300788) Nanocrystals -- Synthesis Light emitting diodes -- Materials Perovskite materials Migrated from ePrints 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. 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. 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. 2020-08-03T00:00:00Z Dataset Dataset 10.82444/warw.33801958.v1 https://figshare.com/articles/dataset/Data_for_Investigating_the_structure-function_relationship_in_triple_cation_perovskite_nanocrystals_for_light-emitting_diode_applications/33801958 CC BY 4.0