Rational design and modification of the buried interface toward high performance perovskite solar cells (PSCs) are highly desired and challenging. Here, we demonstrate a series of guanidinium passivators with multiamine substitutions to shed light on the effective passivation geometry at the SnO₂/perovskite heterojunction interface. Comparative theoretical and experimental studies reveal that the binding geometry of the highly polarized imine moiety in guanidinium passivators dominates its energetically favorable passivation on the SnO₂ surface, which decreases the trap density to 1.11 × 10¹⁶ cm^–3 with reduced interior/interface nonradiative recombination in the unsymmetrical aminoguanidine hydrochloride (Agu) platform. Consequently, the PSCs with buried Agu passivator deliver a champion power conversion efficiency (PCE) of 24.4% with an advanced open-circuit voltage (V_OC) of 1.197 V and prolonged lifetime over 90% of the initial PCE after 900 h in ambient conditions.

中文翻译：

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用于钙钛矿太阳能电池的具有良好结合能的埋地胍钝化剂

对高性能钙钛矿太阳能电池 (PSC) 的掩埋界面进行合理设计和修改是非常需要和具有挑战性的。在这里，我们展示了一系列具有多胺取代的胍钝化剂，以阐明 SnO ₂ /钙钛矿异质结界面的有效钝化几何结构。比较理论和实验研究表明，胍钝化剂中高度极化亚胺部分的结合几何结构决定了其在 SnO ₂表面的能量有利钝化，从而将陷阱密度降低至 1.11 × 10 ¹⁶ cm ^–3在不对称氨基胍盐酸盐 (Agu) 平台中减少内部/界面非辐射复合。因此，具有掩埋 Agu 钝化剂的 PSC 可提供 24.4% 的冠军功率转换效率 (PCE) 和1.197 V 的先进开路电压 ( V _OC )，并且在环境条件下 900 小时后寿命延长超过初始 PCE 的 90% .