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A zero-dimensional hybrid copper(I) bromide single crystal with highly efficient green emission
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2023-12-18 , DOI: 10.1039/d3cp05140d Yingui Gao 1, 2 , Zhihuang Xu 1 , Liwang Ye 1 , Yuanjie Wang 1, 3 , Xinxin Zhuang 1, 2
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2023-12-18 , DOI: 10.1039/d3cp05140d Yingui Gao 1, 2 , Zhihuang Xu 1 , Liwang Ye 1 , Yuanjie Wang 1, 3 , Xinxin Zhuang 1, 2
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Lead-free metal halides are considered as alternatives to lead-based perovskites due to their low toxicity, rich structural diversity, and high luminescence properties. We report millimeter-sized single crystals of a new zero-dimensional (0D) copper(I)-based hybrid material, (AEP)2Cu2Br6·2Br·2H2O (AEP = C6H18N33+), which exhibits bright broadband green photoluminescence (PL) at 510 nm with a Stokes shift of 220 nm and a PL lifetime of 121.1 μs. Density functional theory (DFT) calculations and experimental studies reveal that the green light can be attributed to self-trapping exciton (STE) emission. It is worth mentioning that this crystal has a high photoluminescence quantum yield (PLQY) of 90.5%, which is higher than most copper halides.
中文翻译：
具有高效绿光发射的零维杂化溴化铜(I)单晶
无铅金属卤化物因其低毒性、丰富的结构多样性和高发光特性而被认为是铅基钙钛矿的替代品。我们报道了一种新型零维（0D）铜（ I ）基杂化材料的毫米级单晶，（AEP） 2 Cu 2 Br 6 ·2Br·2H 2 O（AEP = C 6 H 18 N 3 3+ ），在 510 nm 处表现出明亮的宽带绿色光致发光 (PL)，斯托克斯位移为 220 nm，PL 寿命为 121.1 μs。密度泛函理论（DFT）计算和实验研究表明，绿光可归因于自俘获激子（STE）发射。值得一提的是，这种晶体具有高达90.5%的光致发光量子产率（PLQY），高于大多数卤化铜。
更新日期：2023-12-18
中文翻译：
具有高效绿光发射的零维杂化溴化铜(I)单晶
无铅金属卤化物因其低毒性、丰富的结构多样性和高发光特性而被认为是铅基钙钛矿的替代品。我们报道了一种新型零维（0D）铜（ I ）基杂化材料的毫米级单晶，（AEP） 2 Cu 2 Br 6 ·2Br·2H 2 O（AEP = C 6 H 18 N 3 3+ ），在 510 nm 处表现出明亮的宽带绿色光致发光 (PL)，斯托克斯位移为 220 nm，PL 寿命为 121.1 μs。密度泛函理论（DFT）计算和实验研究表明，绿光可归因于自俘获激子（STE）发射。值得一提的是，这种晶体具有高达90.5%的光致发光量子产率（PLQY），高于大多数卤化铜。
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