南昌大学陈义旺团队报道了由二铵分子构型诱导的晶体取向和载流子动力学调控，用于高效稳定2D/3D钙钛矿型太阳能电池。相关研究成果发表在2021年11月23日出版的国际学术期刊《德国应用化学》。

二维/三维（2D/3D）混合钙钛矿通过引入有机间隔阳离子，结合了2D钙钛矿优越稳定性和3D钙钛矿优异效率的优点。然而，二铵间隔阳离子的分子结构对2D/3D钙钛矿性质的影响尚不清楚。

该文中，研究人员首次系统地研究了分子构型诱导的结晶动力学和载流子动力学调控机制，通过使用各种二铵分子构建Dion-Jacobson（DJ）型2D/3D钙钛矿以进一步促进光伏性能。最小平均Pb-I-Pb角导致[PbX6]^4-晶格在含有DJ型2D/3D钙钛矿的最佳二铵分子中的最小八面体倾斜，使得间隔阳离子和无机[PbX6]^4-笼之间具有合适的结合能和氢键，从而有助于形成具有垂直晶体取向、减轻晶格畸变和高效载流子传输的高质量钙钛矿薄膜。因此，器件效率显著提高，达到22.68%，且具有良好的稳定性。

附：英文原文

Title: Diammonium Molecular Configuration-Induced Regulation of Crystal Orientation and Carrier Dynamics for Highly Efficient and Stable 2D/3D Perovskite Solar Cells

Author: Yang Zhong, Gengling Liu, Yang Su, Wangping Sheng, Lingyun Gong, Jiaqi Zhang, Licheng Tan, Yiwang Chen

Issue&Volume: 2021-11-23

Abstract: Two-dimensional/three-dimensional (2D/3D) mixed perovskites combine the advantages containing superior stability of 2D perovskite and excellent efficiency of 3D perovskite by introducing organic spacer cations. However, the effects from the molecular configuration of diammonium spacer cations on 2D/3D perovskite properties are still unclear. Here, we firstly investigated systematically the mechansim of molecular configuration-induced regulation of crystallization kinetic and carrier dynamics by employing various diammonium molecules to construct Dion-Jacobson (DJ)-type 2D/3D perovskites to further facilitating the photovoltaic performance. The minimum average Pb-I-Pb angle leads to the smallest octahedral tilting of [PbX6]4-   lattice in optimal diammonium molecule-incorporated DJ-type 2D/3D perovskite, which enables suitable binding energy and hydrogen-bonding between spacer cations and inorganic [PbX6]4-  cages, thus contributing to the formation of high-quality perovskite film with vertical crystal orientation, mitigatory lattice distortion and efficient carrier transportation. As a consequence, a dramatically improved device efficiency of 22.68% is achieved with excellent mositure stability.

DOI: 10.1002/anie.202114588

Source: https://onlinelibrary.wiley.com/doi/10.1002/anie.202114588