The effect of cationic chlorides has been studied to achieve high quality perovskite films, for high performance perovskite solar cells. However, the role of cationic chloride additives which form mixed-cations on the perovskite structure is still unclear. Investigating the crystal morphology and stability of perovskite films for various sizes or concentrations of cationic chlorides is an essential part of the optoelectronic perovskite study. This paper investigates how cationic chlorides GuCl, FACl, CsCl, RbCl, and KCl, with different cationic sizes and concentrations, affected FAPbI₃ perovskite. By forming mixed-cations by the addition of cationic chlorides with appropriate cation size and concentration, based on the tolerance factor, the crystallinity of the perovskite film was improved, achieving a lifetime 2.50 times longer, and a grain size 2.44 times larger. As a result, the efficiency of the perovskite solar cells is increased to 23.28%, and certified as 22.65% at Newport with optimized cationic chlorides. To understand the effect of the cation size and concentration of the cationic chlorides, theoretical analysis of the mechanism by which the cationic chlorides increased the crystallinity was performed using density functional theory calculations. The results revealed the effect of the various cationic chlorides on perovskite phase structures and matched the experimental results.

中文翻译：

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阳离子尺寸和阳离子氯化物浓度对基于碘化铅碘化钙钛矿的太阳能电池性能的影响

已经研究了阳离子氯化物的作用以获得用于高性能钙钛矿太阳能电池的高质量钙钛矿膜。但是，尚不清楚在钙钛矿结构上形成混合阳离子的阳离子氯化物添加剂的作用。对于各种尺寸或浓度的阳离子氯化物，研究钙钛矿薄膜的晶体形态和稳定性是光电钙钛矿研究的重要组成部分。本文研究了阳离子大小和浓度不同的阳离子氯化物GuCl，FACl，CsCl，RbCl和KCl如何影响FAPbI _3。钙钛矿。通过添加具有适当阳离子尺寸和浓度的阳离子氯化物形成混合阳离子，基于公差因子，钙钛矿薄膜的结晶度得到了改善，使用寿命延长了2.50倍，晶粒尺寸扩大了2.44倍。结果，钙钛矿太阳能电池的效率提高到23.28％，在纽波特使用优化的阳离子氯化物认证为22.65％。为了了解阳离子大小和阳离子氯化物浓度的影响，使用密度泛函理论计算对阳离子氯化物增加结晶度的机理进行了理论分析。结果揭示了各种阳离子氯化物对钙钛矿相结构的影响，并与实验结果相符。