北京量子信息科学研究院李博瀚团队近日研究了层状Dion-Jacobson铅碘化钙钛矿中限制性能的埋藏界面。相关论文于2025年7月7日发表在《美国化学会志》上。

与三维（3D）钙钛矿相比，Dion-Jacobson （DJ）二维（2D）钙钛矿由于其优越的结构和化学稳定性而成为有前途的光伏材料。然而，它们的光电性能仍然受到界面缺陷的限制，并且缺乏对这些界面特性的基本理解。

研究组通过直接探测埋藏界面，结合光谱和微观表征技术，研究了DJ钙钛矿中的界面结构-性质关系。多尺度非均质性，包括相多分散性、结构无序性和非发射域，在埋藏界面上比在顶部表面更集中，限制了整体光物理性能。利用基于硫酸盐的内球络合策略来均匀晶体生长和钝化晶体终止，特别是在埋藏界面处。

这种方法抑制了非辐射复合，促进了DJ钙钛矿膜内超快的间相载流子转移。DJ钙钛矿太阳能电池实现了创纪录的20.7%的功率转换效率，同时表现出相对于3D同类产品更好的环境稳定性。这些发现建立了埋藏界面非均质性与DJ 2D钙钛矿光电性能之间的关键联系。

附：英文原文

Title: Revealing Performance-Limiting Buried Interfaces in Layered Dion–Jacobson Lead–Iodide Perovskites

Author: Jiaqi Zhang, Nan Gan, Fangzhou Liu, Xixi Xie, Xian Zhang, Cuncun Wu, Dongchang Shi, Tengyu Xu, Shaogeng Cai, Huichao Guo, Deao Li, Guoxin Shi, Yilin Wei, Jian Li, Mingyang Wei, Yan Guan, Yangyang Zhang, Shijian Zheng, Bohan Li, So Min Park

Issue&Volume: July 7, 2025

Abstract: Dion–Jacobson (DJ) two-dimensional (2D) perovskites have emerged as promising photovoltaic materials due to their superior structural and chemical stability compared to three-dimensional (3D) perovskites. However, their optoelectronic performance remains limited by imperfections at interfaces and a fundamental understanding of these interfacial properties is missing. Herein, we present interfacial structure–property relationships in DJ perovskites by directly probing buried interfaces using combined spectroscopic and microscopic characterization techniques. Multiscale heterogeneities, including phase polydispersity, structural disorder, and nonemissive domains, are more concentrated at buried interfaces than at the top surfaces, limiting overall photophysical performance. A sulfate-based inner-sphere complexation strategy is exploited to homogenize crystal growth and passivate crystal termination, specifically at buried interfaces. This approach suppresses nonradiative recombination and promotes ultrafast interphase carrier transfer within DJ perovskite films. DJ perovskite solar cells achieve a record power conversion efficiency of 20.7% while exhibiting improved environmental stability relative to their 3D counterparts. These findings establish the critical link between the buried interface heterogeneity and the optoelectronic performance of DJ 2D perovskites.

DOI: 10.1021/jacs.5c07850

Source: https://pubs.acs.org/doi/abs/10.1021/jacs.5c07850