近日，中国科学院青岛生物能源与生物过程技术研究所逄淑平团队研究了稳定钙钛矿太阳能电池的强化钙钛矿/SAM异质界面。相关论文发表在2025年12月16日出版的《美国化学会志》上。

钙钛矿太阳能电池的商业化应用长期受限于钙钛矿与自组装单分子层界面间的机械不稳定性。这一挑战主要源于自组装单分子层与钙钛矿层之间较差的界面润湿性和较弱的结合力。根据软硬酸碱理论，硫醇基团（-SH）作为软碱，对金属离子（如Pb²⁺和Ni²⁺）具有极强的键合倾向。

为此，研究组设计了一系列硫醇交联剂以构建稳定可靠的异质界面。研究发现，多硫醇交联剂不仅能与基底形成化学键，还能在界面保留部分未结合的-SH基团，从而为钙钛矿的生长与键合创造有利环境。其中，三羟甲基丙烷三(3-巯基丙酸酯)表现出最优异的性能，该策略使异质界面的断裂载荷提升了1.8倍，并有效抑制了界面降解。经此处理的钙钛矿太阳能电池获得了26.16%的功率转换效率（第三方认证效率达25.11%）。在持续运行1200小时后，器件仍保持初始效率的97%；在85°C高温条件下经历1600小时老化后，效率保持率仍达90%。该研究揭示了器件稳定性与异质界面机械完整性之间的关键联系，为开发长效稳定的钙钛矿太阳能电池提供了创新策略。

附：英文原文

Title: Strengthened Perovskite/SAM Heterointerface for Stable Perovskite Solar Cells

Author: Cheng Peng, Xiuhong Sun, Bingqian Zhang, Hongguang Meng, Kaiyu Wang, Zhipeng Li, Mingzhe Zhu, Xiaoxu Zhang, Guanghui Wang, Zhongmin Zhou, Shuping Pang

Issue&Volume: December 16, 2025

Abstract: The commercialization of perovskite solar cells (PSCs) is hindered by the long-term mechanical instability of the perovskite/self-assembled monolayer (SAM) interface. This challenge primarily arises from poor interfacial wettability and weak bonding between the SAM and the perovskite. According to the Hard–Soft-Acid–Base (HSAB) theory, a thiol group (SH), as a soft base, has a strong tendency to form robust bonding with metal ions (such as Pb2+ and Ni2+). Consequently, we designed a series of thiol cross-linkers to construct stable and reliable heterointerface. We found that multithiol cross-linkers not only form chemical bonds with substrates but also retain a portion of unbound SH at the interface, thereby creating a favorable environment for the growth and bonding of the perovskite. Among them, trimethylolpropane tris(3-mercaptopropionate) (TMP) exhibited the most outstanding performance, and the TMP strategy led to a 1.8-fold increase in the fracture load of the heterointerface and effectively mitigated interfacial degradation. As a result, PSCs treated with TMP achieved a power conversion efficiency (PCE) of 26.16%, independently certified at 25.11%. After continuous operation for 1200 h, the TMP-treated PSCs retained 97% of their initial PCE. Additionally, these devices maintain 90% of their PCE after 1600 h at 85 °C. This work underscores the critical connection between device stability and the mechanical integrity of the heterointerface, presenting a promising strategy for developing long-term stable PSCs.

DOI: 10.1021/jacs.5c20051

Source: https://pubs.acs.org/doi/abs/10.1021/jacs.5c20051