Abstract

The formability of antiperovskite [MX4]XA3-type (A(I) = alkali metals; M(II) = transition metals; X = Cl, Br, I) can be predicted by building the analysis theory. To validate the prediction model, a series of cesium–manganese antiperovskite single crystals with different halogen mixing ratios were synthesized, which not only have [MX4]XA3-type structures but also are ideal luminescent materials. As the most pure green emission fluorescent antiperovskite, [MnCl2Br2]BrCs3 shows 520 nm emission with the high photoluminescence quantum yield (93.5%) at room temperature and ultrastable luminescent color from 77 to 523 K due to the strict confinement of high-density luminescent centers. By fabricating the perovskite film with the double-source thermal evaporation method, the first all-inorganic cesium–manganese halide antiperovskite light-emitting diode is reported, with maximum external quantum efficiency up to 12.5%, maximum luminance up to 3990 cd m–2, and half-life of 756 min operated at 5.0 V.

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