A chiral aromatic amino acid, (S)-3-amino-4-phenylbutyric acid hydrochloride (s-APACl), was employed as an additive to the active layer in a p-i-n organic–inorganic halide perovskite solar cell. This additive led to a better ordered crystal grain with vertical alignment and strongly n-dominated semiconducting properties of the perovskite layer. The s-APACl additive passivated the perovskite predominantly at grain boundaries rather than in the bulk. Both –CO and –NH₃⁺ functional groups interacted strongly with the perovskite, forming coordination with the PbI₂ cage, and passivated the defects at grain boundaries; they also reduced the trap or defect densities to suppress non-radiative recombination and to give enhanced photoluminescence with longer lifetimes, suppressed decomposition in the perovskite layer, stabilized the interface structure and reduced ion migration, which enhanced the stability of the device. A device with 1 mole% s-APACl showed an increase in power conversion efficiency to 21.02% (from 18.90% for the control device) with substantially enhanced operational stability. This work offers a comprehensive understanding of a multi-functional additive in a perovskite device.

中文翻译：

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钙钛矿半导体器件中有机添加剂的分子相互作用和功能：高性能太阳能电池的案例研究

手性芳香族氨基酸（S）-3-氨基-4-苯基丁酸盐酸盐（s- APACl）被用作pin有机-无机卤化物钙钛矿太阳能电池活性层的添加剂。这种添加剂导致钙钛矿层具有更好的有序晶粒，具有垂直排列和强 n 主导的半导体特性。该小号在晶界处，而不是在本体-APACl添加剂钝化钙钛矿主要。–CO和 –NH ₃ ⁺官能团与钙钛矿强烈相互作用，与 PbI ₂形成配位笼，钝化晶界处的缺陷；他们还降低了陷阱或缺陷密度以抑制非辐射复合并增强光致发光并延长寿命，抑制钙钛矿层的分解，稳定界面结构并减少离子迁移，从而增强了器件的稳定性。具有 1 摩尔% s -APACl 的设备显示出功率转换效率增加到 21.02%（控制设备为 18.90%），并具有显着增强的操作稳定性。这项工作提供了对钙钛矿设备中多功能添加剂的全面了解。