The Dion–Jacobson (DJ) perovskites solar cells (PSCs) demonstrate impressive humidity stability compared with 3D counterparts and have aroused extensive attention recently. However, it has not been investigated yet, how the humidity condition influences the photovoltaic performances. Herein, the effect of the humidity condition on the crystallization behavior, charge dynamics, photovoltaic and stability performances of BDAFA_n-1Pb_nI_3n+1 DJ perovskite is systematically investigated. Humidity-assisted annealing process can lead to reduced trap concentration and fast charge transfer process between different-n DJ phases. The BDAFA₅Pb₆I₁₉ PSC with the assistance of moisture achieves an efficiency as high as 17.17%, which is the highest value ever reported for methylammonium-free DJ PSCs. In addition, the humidity-, thermal-, and photo-stability properties of the DJ film and devices are significantly boosted. Further, first-principles calculation indicates that water molecules occupy the iodide vacancies through a strong bonding with Pb ions during the crystallization process under humidity and increase the decomposition energy of the DJ phase, which corresponds to the improved photoelectronic and stability properties. These results show that humidity-assisted deposition of 2D/3D multidimensional perovskite can be further explored to reduce the high demand of the production environment and enhance the performances.

中文翻译：

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抑制高湿度处理的 Dion-Jacobson 钙钛矿太阳能电池中的相分离以实现高效率和稳定性

与 3D 对应物相比，Dion-Jacobson (DJ) 钙钛矿太阳能电池 (PSC) 表现出令人印象深刻的湿度稳定性，最近引起了广泛关注。然而，尚未研究湿度条件如何影响光伏性能。在此，系统研究了湿度条件对 BDAFA _n-1 Pb _n I _3n+1 DJ 钙钛矿的结晶行为、电荷动力学、光伏和稳定性性能的影响。湿度辅助退火过程可导致不同-n DJ 相之间的陷阱浓度降低和电荷转移过程快速。BDAFA ₅ Pb ₆ I ₁₉PSC 在水分的帮助下实现了高达 17.17% 的效率，这是有史以来报告的不含甲基铵的 DJ PSC 的最高值。此外，DJ 胶片和设备的湿度、热稳定性和光稳定性能得到显着提升。此外，第一性原理计算表明，在潮湿条件下结晶过程中，水分子通过与 Pb 离子的强键合占据碘化物空位，并增加了 DJ 相的分解能，这对应于改进的光电和稳定性性能。这些结果表明，可以进一步探索 2D/3D 多维钙钛矿的湿度辅助沉积，以减少生产环境的高要求并提高性能。