Wang Yong, Wang Yu, Doherty Tiarnan A S, Stranks Samuel D, Gao Feng, Yang Deren
State Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou, People's Republic of China.
Hangzhou Global Scientific and Technological Innovation Center, Zhejiang University, Hangzhou, People's Republic of China.
Nat Rev Chem. 2025 Apr;9(4):261-277. doi: 10.1038/s41570-025-00687-6. Epub 2025 Feb 10.
Metal halide perovskites, with an ABX crystal structure, possess excellent photophysical properties for (opto)electronic applications including photovoltaics, light-emitting diodes, photodetectors and transistors. To pave the pathway towards commercial applications, enormous efforts have been made to obtain high-performance perovskite-based devices. The octahedral unit is considered to be the fundamental and functional unit of halide perovskite materials, consisting of a central B cation surrounded by six X anions, with typical dimensions of 5-6 Å. One promising pathway towards stable and high-performance perovskite devices is to manipulate this octahedral unit. Although rational engineering of octahedra has been used in oxide perovskites to unlock various functionalities, analogous targeted work has been relatively underexplored in halide perovskites. Here, we present fundamental concepts regarding octahedral configurations in metal halide perovskites and its effects on crystal structures, photophysical properties and device performance. We outline techniques that can be used for characterizing octahedral units and summarize different approaches to rationally manipulate these units. Finally, we discuss the challenges and outlook for future research to align octahedral units with device investigations.
具有ABX晶体结构的金属卤化物钙钛矿具有优异的光物理性质，适用于包括光伏、发光二极管、光电探测器和晶体管在内的（光）电子应用。为了开辟通往商业应用的道路，人们已经付出了巨大努力来获得高性能的钙钛矿基器件。八面体单元被认为是卤化物钙钛矿材料的基本功能单元，由一个中心B阳离子被六个X阴离子包围组成，典型尺寸为5-6埃。实现稳定和高性能钙钛矿器件的一条有前途的途径是操控这个八面体单元。尽管八面体的合理工程设计已被用于氧化物钙钛矿以解锁各种功能，但在卤化物钙钛矿中类似的针对性工作相对较少被探索。在这里，我们介绍了关于金属卤化物钙钛矿中八面体构型及其对晶体结构、光物理性质和器件性能影响的基本概念。我们概述了可用于表征八面体单元的技术，并总结了合理操控这些单元的不同方法。最后，我们讨论了将八面体单元与器件研究相结合的未来研究面临的挑战和前景。
