卤化物
钙钛矿(结构)
发光
材料科学
纳米晶
格子(音乐)
化学工程
密度泛函理论
晶格能
化学物理
纳米技术
无机化学
化学
晶体结构
结晶学
光电子学
计算化学
工程类
物理
声学
作者
Huitian Li,Liuyi Xiong,Jinwei Li,Yunxiang Lu,Zhaohui Shen,Dandan Song,Suling Zhao,Zheng Xu,Zhiqin Liang,Bo Qiao
标识
DOI:10.1021/acs.jpclett.3c01099
摘要
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.
科研通智能强力驱动
Strongly Powered by AbleSci AI