Enhancing photoluminescence quantum yield (PLQY) is one of the most important issues in photoluminescent materials. Herein, a molecule design strategy to improve the PLQY in 0D metal halides is proposed. Two new lead‐free organic–inorganic metal halide hybrids with broadband orange emissions have been prepared with a PLQY increase of 57% from (C₆N₂H₁₆)SbCl₅ (I ) to (C₆N₂H₁₆)SbCl₅⋅H₂O (II ) by introducing H₂O molecules. These two compounds have very similar inorganic frameworks, except that the incorporation of water molecules in II increases the distance between the [SbCl₅] polyhedra. It is revealed that the increase of PLQY is mainly attributed to the generation of more local photoelectrons resulting from the additional water molecules. This work provides a new insight to improve the PLQY for 0D environmentally friendly organic–inorganic metal halide hybrids and is beneficial for further photoluminescent material exploration.

中文翻译：

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通过引入水分子提高0D金属卤化物的光致发光量子产率

提高光致发光量子产率（PLQY）是光致发光材料中最重要的问题之一。在本文中，提出了一种分子设计策略来提高0D金属卤化物中的PLQY。制备了两种新型的宽带橙排放的无铅有机-无机金属卤化物杂化物，其PLQY从（C ₆ N ₂ H ₁₆）SbCl ₅（I）增至（C ₆ N ₂ H ₁₆）SbCl ₅增加了57％⋅H ₂ O（II）通过导入H ₂水分子。这两种化合物具有非常相似的无机骨架，除了II增加了[SbCl ₅ ]多面体之间的距离。揭示了PLQY的增加主要归因于由额外的水分子产生的更多局部光电子的产生。这项工作为改善0D环保型有机无机金属卤化物的PLQY提供了新的见识，并且对于进一步的光致发光材料探索是有益的。