Key Laboratory of Luminescence and Optical Information, Beijing Jiaotong University, Ministry of Education, Beijing 100044, China.
Institute of Optoelectronics Technology, Beijing Jiaotong University, Beijing 100044, China.
J Phys Chem Lett. 2023 Jun 22;14(24):5481-5488. doi: 10.1021/acs.jpclett.3c01099. Epub 2023 Jun 8.
It is still quite challenging to achieve high-performance and stable blue perovskite materials due to their instability and degradation. The lattice strain provides an important pathway to investigate the degradation process. In this article, the lattice strain in perovskite nanocrystals was regulated by the ratio of Cs, EA, and Rb cations with different sizes. Their electrical structure, formation energy, and ion migration activation energy were calculated with the density functional theory (DFT) method. The luminescence properties and stability of blue lead bromide perovskite nanocrystals were analyzed with spectra regulation from 516 to 472 nm. It was demonstrated that the lattice strain plays an important role in the luminescence performance and degradation process of perovskite materials. The study provides the positive correlation between lattice strain and degradation as well as luminescence properties in lead halide perovskite materials, which is of great importance in uncovering their degradation mechanism and developing stable and high-performance blue perovskite materials.
由于不稳定性和降解问题，要实现高性能和稳定的蓝色钙钛矿材料仍然极具挑战性。晶格应变为研究降解过程提供了一条重要途径。在本文中，通过不同大小的 Cs、EA 和 Rb 阳离子的比例来调节钙钛矿纳米晶体的晶格应变。利用密度泛函理论（DFT）方法计算了它们的电子结构、形成能和离子迁移激活能。通过光谱调节从 516nm 到 472nm 分析了蓝色卤化铅钙钛矿纳米晶体的发光性能和稳定性。结果表明，晶格应变更替地在钙钛矿材料的发光性能和降解过程中起着重要作用。该研究在揭示其降解机制和开发稳定、高性能的蓝色钙钛矿材料方面提供了卤化铅钙钛矿材料中晶格应变与降解以及发光性能之间的正相关性，具有重要意义。
