The deprotonation of organic cations and oxidation of halide ions in perovskites are major degradation factors causing irreversible stability and efficiency loss in devices. To address these issues, we designed the 3-mercaptobenzoic acid (3-MBA) additive, which facilitates spontaneous deprotonation due to its carboxyl group and enables hydrogen bonding with formamidinium (FA⁺). Adding 3-MBA to the perovskite precursor solution inhibits both deprotonation of organic cations and oxidation of halide ions, thereby enhancing the stability of perovskite precursors and films at elevated temperatures. This approach also improves perovskite crystallinity and passivates halide-related defects through covalent bonding with uncoordinated lead. As a result, 3-MBA-treated inverted (p–i–n) solar cells achieve a power conversion efficiency (PCE) of 24.3%. Moreover, the unencapsulated 3-MBA-treated devices show impressive thermal stability with a T₉₈ lifetime after 1740 hours at 85 °C under nitrogen conditions. Additionally, 140-day-aged perovskite precursors containing 3-MBA retain over 96% of their initial efficiency.

中文翻译：

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氢键介导的拟卤化物络合用于稳定高效的钙钛矿前体和太阳能电池


钙钛矿中有机阳离子的去质子化和卤化物离子的氧化是导致器件不可逆稳定性和效率损失的主要降解因素。为了解决这些问题，我们设计了 3-巯基苯甲酸 (3-MBA) 添加剂，该添加剂因其羧基而促进自发去质子化，并能够与甲脒 (FA ⁺ ) 形成氢键。在钙钛矿前驱体溶液中添加3-MBA可以抑制有机阳离子的去质子化和卤化物离子的氧化，从而增强钙钛矿前驱体和薄膜在高温下的稳定性。这种方法还可以通过与不配位铅的共价键合来提高钙钛矿结晶度并钝化与卤化物相关的缺陷。结果，经过 3-MBA 处理的倒置 (p–i–n) 太阳能电池的功率转换效率 (PCE) 达到 24.3%。此外，未封装的 3-MBA 处理器件显示出令人印象深刻的热稳定性，在氮气条件下 85 °C 下 1740 小时后具有T ₉₈寿命。此外，经过 140 天老化的含有 3-MBA 的钙钛矿前体仍保留了超过 96% 的初始效率。