Effective Passivation with Size-Matched Alkyldiammonium Iodide for High-Performance Inverted Perovskite Solar Cells,Advanced Functional Materials

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Effective Passivation with Size-Matched Alkyldiammonium Iodide for High-Performance Inverted Perovskite Solar Cells
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2022-07-11 , DOI: 10.1002/adfm.202205009
Sanwan Liu ₁ , Xinyu Guan ₁ , Wenshan Xiao ₂ , Rui Chen ₁ , Jing Zhou ₁ , Fumeng Ren ₁ , Jianan Wang ₁ , Weitao Chen ₁ , Sibo Li ₃ , Longbin Qiu ₃ , Yan Zhao _{2,

4} , Zonghao Liu _{1,

5} , Wei Chen _{1,

5,

6}

Affiliation

Organic ammonium salts have been widely used for defect passivation to suppress nonradiative charge recombination in perovskite solar cells (PSCs). However, they are prone to form undesirable in-plane favored 2D perovskites with poor charge transport capability that hamper device performance. Herein, the defects passivation role of alkyldiammonium including 1.6-hexamethylenediamine dihydriodide (HDAI₂), 1,3-propanediamine dihydriodide (PDAI₂), and 1.4-butanediamine dihydriodide (BDAI₂) for formamidinium-cesium perovskite is systematically investigated. With help of density functional theory (DFT) calculations, BDA with suitable size can synergistically passivate two defect sites on perovskite surfaces, showing the best defect passivation effect among the above three alkyldiammonium salts. Perovskite films based on BDAI₂ modification are found to keep the 3D perovskite phase with considerably reduced trap-state density, and enhanced carrier extraction. As a result, the BDAI₂-modified devices deliver impressive efficiencies of 23.1% and 20.9% for inverted PSCs on the rigid and flexible substrates, respectively. Moreover, the corresponding encapsulated rigid devices maintain 92% of the initial efficiency after operating under continuous 1-sun illumination with the maximum power point tracking for 1000 h. Furthermore, the mechanical flexibility of the BDAI₂-modified flexible device is also improved due to the release of residual stress.

中文翻译：

用尺寸匹配的烷基碘化铵有效钝化高性能倒置钙钛矿太阳能电池

有机铵盐已广泛用于缺陷钝化以抑制钙钛矿太阳能电池（PSC）中的非辐射电荷复合。然而，它们容易形成不受欢迎的平面内受青睐的二维钙钛矿，其电荷传输能力较差，从而影响器件性能。在此，烷基二铵的缺陷钝化作用包括1.6-六亚甲基二胺二氢碘化物（HDAI ₂）、1,3-丙二胺二氢碘化物（PDAI ₂）和1.4-丁二胺二氢碘化物（BDAI ₂) 对甲脒-铯钙钛矿进行了系统研究。借助密度泛函理论（DFT）计算，合适尺寸的BDA可以协同钝化钙钛矿表面的两个缺陷位点，在上述三种烷基二铵盐中表现出最好的缺陷钝化效果。发现基于 BDAI ₂改性的钙钛矿薄膜可以保持 3D 钙钛矿相，并显着降低陷阱态密度，并增强载流子提取。因此，BDAI ₂- 改进的设备分别为刚性和柔性基板上的倒置 PSC 提供了令人印象深刻的 23.1% 和 20.9% 的效率。此外，相应的封装刚性器件在连续 1 日光照下运行 1000 小时后保持初始效率的 92%，最大功率点跟踪。此外，由于残余应力的释放，BDAI ₂改性柔性器件的机械柔性也得到了改善。

更新日期：2022-07-11

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