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Liquid-solid-Interpenetration Surface Reconstruction of Monodisperse Water Stabilized CsPbBr3/CsPb2Br5 Core/Shell Perovskite Nanocrystals
Advanced Optical Materials ( IF 8.0 ) Pub Date : 2023-08-23 , DOI: 10.1002/adom.202301211 Qiliang Zhu 1 , Fan Ye 2 , Wei Yan 1 , Jingrun Zhu 1 , Jianhua Shen 1 , Kan‐Hao Xue 2 , Yihua Zhu 1 , Chunzhong Li 1
Advanced Optical Materials ( IF 8.0 ) Pub Date : 2023-08-23 , DOI: 10.1002/adom.202301211 Qiliang Zhu 1 , Fan Ye 2 , Wei Yan 1 , Jingrun Zhu 1 , Jianhua Shen 1 , Kan‐Hao Xue 2 , Yihua Zhu 1 , Chunzhong Li 1
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All-inorganic lead halide perovskite nanocrystals (NCs) have shown great potential in various optoelectronic device applications due to their excellent optoelectronic properties, but their poor stability remains a key obstacle to widespread application. The preparation of core/shell NCs is developed to improve their stability, but most of the coating for single NCs is incomplete, and the crystal orientation and interface binding of core/shell structures are still unclear. Here, a surface reconstruction strategy to synthesize CsPbBr3/CsPb2Br5 core/shell NCs with uniform coating structure is reported. The concentration of [PbBr8]6− monomer in the system is regulated by creating local low H2O concentration conditions to balance the erosion of perovskite by water and the overall heterogeneous nucleation reaction system, resulting in single encapsulated and well-edged perovskite core/shell NCs. More importantly, advanced characterization tools are used to reveal the core/shell structural features of CsPbBr3/CsPb2Br5 core/shell NCs at the atomic scale, which has not been reported before, and the interface matching of the two-phase binding is simulated by density functional theory calculations, which confirm that the CsPb2Br5 (116) facet can bind to the CsPbBr3 (100) facet with the lowest binding energy. The prepared core/shell perovskite NCs can still retain photoluminescence emission after >30 days in water.
中文翻译：
单分散水稳定CsPbBr3/CsPb2Br5核/壳钙钛矿纳米晶的液-固-互穿表面重构
全无机卤化铅钙钛矿纳米晶（NC）由于其优异的光电性能，在各种光电器件应用中显示出巨大的潜力，但其稳定性差仍然是其广泛应用的关键障碍。核/壳NCs的制备是为了提高其稳定性而开发的，但大多数单一NCs的涂层不完整，并且核/壳结构的晶体取向和界面结合仍不清楚。在此，报道了一种合成具有均匀涂层结构的CsPbBr 3 /CsPb 2 Br 5核/壳NCs的表面重构策略。通过创造局部低H 2 O浓度条件来调节系统中[PbBr 8 ] 6−单体的浓度，以平衡水对钙钛矿的侵蚀和整体异质成核反应系统，从而产生单个封装且边缘良好的钙钛矿核/shell NC。更重要的是，利用先进的表征工具在原子尺度上揭示了CsPbBr 3 /CsPb 2 Br 5核/壳NCs的核/壳结构特征，这是以前没有报道过的，以及两相结合的界面匹配通过密度泛函理论计算模拟，证实CsPb 2 Br 5 (116)晶面可以以最低的结合能与CsPbBr 3 (100)晶面结合。所制备的核/壳钙钛矿NCs在水中>30天后仍能保留光致发光发射。
更新日期：2023-08-23
中文翻译：
单分散水稳定CsPbBr3/CsPb2Br5核/壳钙钛矿纳米晶的液-固-互穿表面重构
全无机卤化铅钙钛矿纳米晶（NC）由于其优异的光电性能，在各种光电器件应用中显示出巨大的潜力，但其稳定性差仍然是其广泛应用的关键障碍。核/壳NCs的制备是为了提高其稳定性而开发的，但大多数单一NCs的涂层不完整，并且核/壳结构的晶体取向和界面结合仍不清楚。在此，报道了一种合成具有均匀涂层结构的CsPbBr 3 /CsPb 2 Br 5核/壳NCs的表面重构策略。通过创造局部低H 2 O浓度条件来调节系统中[PbBr 8 ] 6−单体的浓度，以平衡水对钙钛矿的侵蚀和整体异质成核反应系统，从而产生单个封装且边缘良好的钙钛矿核/shell NC。更重要的是，利用先进的表征工具在原子尺度上揭示了CsPbBr 3 /CsPb 2 Br 5核/壳NCs的核/壳结构特征，这是以前没有报道过的，以及两相结合的界面匹配通过密度泛函理论计算模拟，证实CsPb 2 Br 5 (116)晶面可以以最低的结合能与CsPbBr 3 (100)晶面结合。所制备的核/壳钙钛矿NCs在水中>30天后仍能保留光致发光发射。
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