近日，华中科技大学陈韡团队报道了一种熵调节分子锁可稳定甲脒铅卤化钙钛矿。该项研究成果发表在2026年5月14日出版的《科学》杂志上。

甲脒铅碘（FAPbI₃）钙钛矿太阳能电池的一个关键局限在于，其离子-共价Pb-I八面体晶格在工作条件下相对于不利的六方δ相具有内在的不稳定性。

研究组报道了一种使用1-吡啶-3-基甲基-哌嗪盐酸盐（3-PMPCl）的熵调控分子锁定策略。钙钛矿晶格表面与3-PMPCl之间的强相互作用调节了有机阳离子的旋转自由度，并抑制了与[PbI₆]^4-八面体无序或膨胀相关的有害熵增。这种熵有利的环境从本质上提高了相变能垒。3-PMPCl的均匀分布和强吸附作用使得α相在高温高湿条件下得以稳定。

研究组基于FAPbI₃的钙钛矿太阳能电池实现了27.6%的认证光电转换效率（PCE）。然而，此类冠军器件的运行稳定性仍低于当前最高水平。采用稳定的铋电极可解决这一问题，虽然效率略有下降，但所得器件在85°C、1个太阳光照下运行1011小时后，仍能保持初始PCE（26.8%）的93.0%。

附：英文原文

Title: An entropy-regulating molecular lock stabilizes formamidinium lead halide perovskite

Author: Tianyin Miao, Sanwan Liu, Xia Lei, Yong Zhang, Wenpei Li, Qisen Zhou, Jianan Wang, Nikita A. Emelianov, Victoria V. Ozerova, Valeria S. Bolshakova, Wenqiang Wang, Zheng Zhou, Zhongjie Zhu, Lanlu Lu, Zhenhua Chen, Jingyuan Ma, Erxiang Xu, Luyao Wang, Yunfei Li, Zhengtian Tan, Shijie Zheng, Guilin Liu, Lianbo Guo, Jingbai Li, Yang Shen, Pavel A. Troshin, Sergey M. Aldoshin, Zonghao Liu, Nam-Gyu Park, Wei Chen

Issue&Volume: 2026-05-14

Abstract: A critical limitation of formamidinium lead iodide (FAPbI3) perovskite solar cells (PSCs) lies in the intrinsic instability of the ionic–covalent Pb–I octahedral lattice, relative to the unfavorable hexagonal δ-phase under operating conditions. We report an entropy-regulating molecular-lock strategy using 1-pyridin-3-ylmethyl-piperazine hydrochloride (3-PMPCl). Strong interactions between the perovskite lattice surface and 3-PMPCl modulate the rotational freedom of organic cations and suppress the detrimental entropy increase associated with [PbI6]4 octahedra disorder or expansion. This entropy-favored environment intrinsically increases the phase transition energy barrier. The uniform distribution and strong adsorption of 3-PMPCl stabilize the α-phase under elevated temperature and humidity conditions. We achieved a certified power conversion efficiency (PCE) of 27.6% in FAPbI3-based PSCs. However, the operational stability of such champion devices remains below the state of the art. Adopting a stable bismuth electrode addresses this issue with a slight reduction in efficiency, yielding a device that retains 93.0% of its initial PCE (26.8%) after 1011 hours at 85°C under 1-sun illumination.

DOI: aeb9953

Source: https://www.science.org/doi/10.1126/science.aeb9953