卤化物
材料科学
钙钛矿(结构)
笼子
分子
化学工程
无机化学
有机化学
化学
数学
组合数学
工程类
作者
Naimin Liu,Jialong Duan,Hui Li,Linzheng Ma,Bo Wang,Jiabao Li,Xingxing Duan,Qiyao Guo,Jie Dou,Shengwei Geng,Бо Лю,Chenlong Zhang,Yueji Liu,Benlin He,Xiya Yang,Qunwei Tang
标识
DOI:10.1002/aenm.202402443
摘要
Abstract Solidifying the soft lattice of all‐inorganic mixed‐halide perovskites is of great importance to restrain the notorious halide segregation under persistent light illumination. Herein, a multifunctional columnar macrocyclic molecule additive, namely cucurbituril into perovskite precursor to enhance the crystallization and reduce the defect density in the final perovskite film is introduced. Based on the theoretical calculation and simulation, the cucurbituril molecule with a strong double‐ended negatively‐charged cavity surrounded by terminated oxygen atoms not only coordinates with dangling Pb 2+ ions to form host‐guest complexation but also induces an electric dipole field at perovskite grain boundary to effectively repel the iodide ion migration from the inside grain to the defective boundary, significantly suppressing the halide segregation and improving the device performance. As a result, the carbon‐based, all‐inorganic CsPbI 2 Br solar cell achieves an enhanced efficiency of 15.59% with great tolerance to environmental stresses. These findings provide new insights into the development of a novel passivation strategy with macrocyclic molecules for making high‐efficiency and stable perovskite solar cells.
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