近日，西南交通大学黄鹏团队报道了六氟铝酸铵介导的镍氧化物电荷补偿及热弹性钙钛矿太阳能电池的界面调节。2026年4月16日出版的《中国化学》杂志发表了这一最新研究成果。

源自埋底界面的热不稳定性，尤其是氧化镍空穴传输层特有的电导率-稳定性悖论，严重阻碍了反式钙钛矿太阳能电池的商业化进程。

研究组引入六氟铝酸铵作为多功能界面层，以调和这一矛盾并调控埋底钙钛矿界面。他们阐明了一种电荷补偿机制：AlF₆^3-阴离子通过F^-离子与表面Ni²⁺配位，同时NH₄⁺阳离子填充镍空位。这些过程协同促进了Ni³⁺的生成，从而在不引发寄生反应的前提下提升电导率。

同时，AHA通过路易斯酸碱和氢键相互作用调控钙钛矿的结晶过程，获得高质量薄膜，并缓解了应变、实现了有利的能级对齐。最终，引入AHA的反式钙钛矿太阳能电池取得了26.07%的冠军功率转换效率。此外，在ISOS-D-2I协议下于85°C老化1100小时后，器件仍保持初始效率的90.8%，展现出卓越的热稳定性。

附：英文原文

Title: Ammonium Hexafluoroaluminate Mediated Charge Compensation in Nickel Oxide and Interface Regulation for Heat-Resilient Perovskite Solar Cells†

Author: Wenlei Lv, Zongzheng Li, Jia Kou, Zhijie Gao, Yu Wang, Yansheng Chen, Chaorong Guo, Wei Cheng, Lingying Ren, Peng Huang

Issue&Volume: 2026-04-16

Abstract: Thermal instability originating from the buried interface, particularly the conductivity-stability paradox characteristic of nickel oxide hole transport layers, severely impedes the commercialization of inverted perovskite solar cells (PSCs). Herein, we introduce ammonium hexafluoroaluminate (AHA) as a multifunctional interfacial layer to reconcile this contradiction and regulate the buried perovskite interface. We elucidate a charge compensation mechanism wherein AlF63– anions coordinate with surface Ni2+ via F– ions while NH4+ cations fill nickel vacancies. These processes collectively promote Ni3+ generation, thereby enhancing conductivity without inducing parasitic reactions. Simultaneously, AHA modulates perovskite crystallization through Lewis acid-base and hydrogen bonding interactions, yielding high-quality films with mitigated strain and favorable energy alignment. Consequently, inverted PSCs incorporating AHA achieve a champion power conversion efficiency of 26.07%. Furthermore, the devices demonstrate exceptional thermal resilience by retaining 90.8% of their initial efficiency after 1100 h of aging at 85 °C under the ISOS-D-2I protocol.

DOI: 10.1002/cjoc.70565

Source: https://onlinelibrary.wiley.com/doi/10.1002/cjoc.70565