Du Xiangrui, Xia Haicheng, Chen Yongzan, Li Fuqiang, Yang Eunhye, Hangoma Pesi Mwitumwa, Lee Bo Ram, Park Sung Heum
State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China.
Department of Chemistry, Pukyong National University, Busan 48513, Republic of Korea.
ACS Appl Mater Interfaces. 2025 Jul 30;17(30):43080-43088. doi: 10.1021/acsami.5c09196. Epub 2025 Jul 18.
The use of functional additives to passivate defects in the perovskite active layer has become an effective strategy for enhancing the performance of perovskite solar cells (PSCs). Consequently, the judicious selection of additive structures is critical for optimizing the device performance. In this study, we examined the defect-passivating properties of the conjugated molecule 4-aminobenzylphosphonic acid (4-ABzPA) through comparative analysis with the structurally similar nonconjugated molecule 2-aminoethylphosphonic acid (2-AEPA). Our investigation provides a comprehensive assessment of the roles of conjugated molecules in various key areas including defect passivation, crystallization enhancement, energy-level alignment, and long-term stability. These results demonstrate that compared to 2-AEPA, the conjugated molecule 4-ABzPA exhibits unique electron delocalization properties. Leveraging this characteristic, the P=O groups within 4-ABzPA display stronger coordination with Pb, while the NH groups exhibit enhanced capability to suppress halide vacancy. This synergistic passivation effectively reduces the defect density, leading to the formation of high-quality perovskite films. Furthermore, the conjugated molecule optimizes energy-level alignment and establishes effective pathways for charge transport. PSC devices based on 4-ABzPA achieved a champion efficiency of 24.01% and demonstrated exceptional stability under various conditions.
使用功能性添加剂来钝化钙钛矿活性层中的缺陷已成为提高钙钛矿太阳能电池（PSC）性能的有效策略。因此，明智地选择添加剂结构对于优化器件性能至关重要。在本研究中，我们通过与结构相似的非共轭分子2-氨基乙基膦酸（2-AEPA）进行对比分析，研究了共轭分子4-氨基苄基膦酸（4-ABzPA）的缺陷钝化性能。我们的研究全面评估了共轭分子在缺陷钝化、结晶增强、能级对齐和长期稳定性等各个关键领域中的作用。这些结果表明，与2-AEPA相比，共轭分子4-ABzPA具有独特的电子离域特性。利用这一特性，4-ABzPA中的P=O基团与Pb表现出更强的配位作用，而NH基团抑制卤化物空位的能力增强。这种协同钝化有效地降低了缺陷密度，导致形成高质量的钙钛矿薄膜。此外，共轭分子优化了能级对齐并建立了有效的电荷传输途径。基于4-ABzPA的PSC器件实现了24.01%的最佳效率，并在各种条件下表现出卓越的稳定性。
