近日，美国普渡大学窦乐添团队研究了稳定二维钙钛矿的层内双齿金刚石。相关论文于2026年1月5日发表在《自然-化学》杂志上。

二维（2D）金属卤化物钙钛矿因其光电应用而备受关注。传统的2D钙钛矿包括Ruddlesden–Popper（R-P）相、Dion–Jacobson（D-J）相和交替阳离子相。

研究组介绍了一类引入层内双齿配体的2D钙钛矿，称为B-D相钙钛矿，旨在增强结构多样性和稳定性。他们合成了具有刚性核心单元和两个同侧铵端基连接基的双齿配体，并获得了含有这些B-D配体的层内双齿配位的单晶。分子动力学模拟显示，与R-P和D-J相的对应物相比，B-D配体与无机层的结合能更强。基于吸收稳定性评估，B-D相的多晶薄膜表现出优异的耐热性，分别比R-P和D-J相类似物高出1600%和140%。含有B-D配体的光伏器件表现出更高的功率转换效率和更长的稳定性。这些发现确立了B-D相2D钙钛矿作为下一代光电应用的有前景的平台，推动了金属卤化物钙钛矿和其他杂化材料的配体工程。

附：英文原文

Title: Intralayer bidentate diammoniums for stable two-dimensional perovskites

Author: Lin, Chenjian, Tang, Yuanhao, Nian, Zhichen, Coffey, Aidan H., Wang, Yunfei, Yang, Hanjun, Wu, Pengfei, Yang, Yu-Ting, Joy, Syed, Graham, Kenneth R., Xu, Wenzhan, Zhu, Chenhui, Savoie, Brett M., Dou, Letian

Issue&Volume: 2026-01-05

Abstract: Two-dimensional (2D) metal halide perovskites have attracted considerable attention for optoelectronic applications. Conventional 2D perovskites include Ruddlesden–Popper (R-P), Dion–Jacobson (D-J) and alternating cation phases. Here we introduce a class of 2D perovskite incorporating intralayer bidentate ligands, termed B-D phase perovskites, designed to enhance structural diversity and stability. We synthesized bidentate ligands with a rigid core unit and two ipsilateral ammonium-terminated linker groups, and obtained single crystals incorporating these B-D ligands with intralayer bidentate coordination. Molecular dynamics simulations reveal that the B-D ligand exhibits stronger binding energies to the inorganic layer compared with its R-P and D-J phase counterparts. Polycrystalline thin films of B-D phase showed superior thermal resistance, outperforming R-P and D-J phase analogues by 1,600% and 140% respectively, based on absorption stability assessments. Photovoltaic devices incorporating the B-D ligand exhibited higher power conversion efficiency and extended stability. These findings establish B-D phase 2D perovskites as a promising platform for next-generation optoelectronic applications, advancing ligand engineering for metal halide perovskites and other hybrid materials.

DOI: 10.1038/s41557-025-02038-w

Source: https://www.nature.com/articles/s41557-025-02038-w