Charge transfer (CT) kinetics at the interfaces of lead-halide-based perovskite nanocrystals (PNCs) are pivotal in dictating the efficacies of energy conversion. Our investigation delves into the intricacies of CT between cesium lead bromide (CsPbBr₃)-based PNCs and fullerene (C₆₀) employing a suite of spectroscopic and theoretical investigations. Notably, we discern a facile interfacial photoinduced electron transfer (ET) from CsPbBr₃ PNCs to C₆₀, in good agreement with their respective aligned energy levels. Complementary current sensing atomic force microscopy measurements unveil a substantial enhancement in conductivity across the electrode–PNC–electrode nanojunction in the presence of C₆₀. To establish the implications of such ET in photovoltaic devices, we have simulated the performance of two devices: one without C₆₀ and one with C₆₀. We unfold an impressive increment in the power conversion efficiency from 12.5% to 15.8% in FTO/CsPbBr₃/PEDOT:PSS/Au configurations upon integrating a band-aligned C₆₀ layer. These outcomes accentuate the relevance of regulated interlayer CT in optimizing photovoltaic device performance.

中文翻译：

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深入了解 CsPbBr3 钙钛矿纳米晶体中电荷转移动力学对于光伏应用的重要性


卤化铅基钙钛矿纳米晶体 (PNC) 界面的电荷转移 (CT) 动力学对于决定能量转换的效率至关重要。我们的研究采用一系列光谱和理论研究，深入研究了基于溴化铯铅 (CsPbBr ₃ ) 的 PNC 和富勒烯 (C ₆₀ ) 之间 CT 的复杂性。值得注意的是，我们发现了从 CsPbBr ₃ PNC 到 C ₆₀ 的简单界面光致电子转移（ET），与它们各自的对齐能级非常一致。互补电流传感原子力显微镜测量揭示了在 C ₆₀ 存在的情况下，电极-PNC-电极纳米结的电导率显着增强。为了确定这种 ET 在光伏器件中的影响，我们模拟了两种器件的性能：一种没有 C ₆₀ ，另一种有 C ₆₀ 。在集成能带对齐的 C ₆₀ 层后，我们在 FTO/CsPbBr ₃ /PEDOT:PSS/Au 配置中实现了功率转换效率从 12.5% 显着提高到 15.8%。这些结果强调了调节层间 CT 在优化光伏器件性能方面的相关性。