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Regulation of energy band and luminescence properties in blue quasi-2D lead bromide perovskite via lattice strain
Applied Physics Letters ( IF 4 ) Pub Date : 2022-04-25 , DOI: 10.1063/5.0088086
Chunyue Cao 1, 2 , Yao Lu 1, 2 , Huitian Li 1, 2 , Dandan Song 1, 2 , Suling Zhao 1, 2 , Zheng Xu 1, 2 , Aliaksandr Smirnov 3 , Bo Qiao 1, 2
Affiliation  

Development of blue quasi-2D lead halide perovskite LEDs is key to the perovskite based full-color displays and white-light illumination. It is still quite challenging to accurately enlarge the bandgap to achieve high performance and stable blue Quasi-2D perovskite LEDs. The lattice strain due to the deformation of lead-bromide octahedra is a critical factor leading to the energy band adjustment and stability optimization. In this Letter, the lattice strain is adjusted via three cations with different sizes, Cs+, CH3CH2NH2+ (EA+), and Rb+, for sophisticatedly micro-tuning of the lattice strain to achieve overall lattice expansion and lattice contraction. A ternary quasi-2D blue bromide perovskite material PEA2(CsxEAyRb1-x-yPbBr3)2PbBr4 is specially designed. The crystal structure and energy band are studied by the first principles calculations using the Density Functional Theory method. The luminescence properties of blue quasi-2D lead bromide perovskite materials are analyzed with spectra regulation from 508 to 464 nm for photoluminescence and from 510 to 470 nm for electroluminescence. The thermal treatment is used to accelerate the release of residual strain due to mismatch and disorder in the lattice, leading to defects and degradation. The lattice strain is strongly correlated with the energy band, luminescence performance, and thermal stability of blue quasi-2D lead bromide perovskite. The study of lattice strain relaxation in blue quasi-2D lead bromide perovskite could open avenues for high-performance and stable blue quasi-2D perovskite LEDs.

中文翻译:

通过晶格应变调控蓝色准二维溴化铅钙钛矿的能带和发光特性

开发蓝色准二维卤化铅钙钛矿 LED 是基于钙钛矿的全彩显示器和白光照明的关键。准确地扩大带隙以实现高性能和稳定的蓝色准二维钙钛矿 LED 仍然非常具有挑战性。溴化铅八面体变形引起的晶格应变是导致能带调整和稳定性优化的关键因素。在这封信中,晶格应变通过三种不同大小的阳离子 Cs 进行调整+, 甲烷3个CH2个氨氮2个+(EA+), 和 Rb+,用于晶格应变的精密微调,以实现整体晶格膨胀和晶格收缩。一种三元准二维蓝色溴化物钙钛矿材料PEA2个(CSXEA1-xy溴化铅3个)2个溴化铅4个是专门设计的。使用密度泛函理论方法通过第一性原理计算研究晶体结构和能带。通过从 508 到 464 nm 的光致发光和 510 到 470 nm 的电致发光光谱调节,分析了蓝色准二维溴化铅钙钛矿材料的发光特性。热处理用于加速由于晶格中的失配和无序引起的残余应变的释放,从而导致缺陷和退化。晶格应变与蓝色准二维溴化铅钙钛矿的能带、发光性能和热稳定性密切相关。蓝色准二维溴化铅钙钛矿中晶格应变弛豫的研究可为高性能和稳定的蓝色准二维钙钛矿 LED 开辟道路。
更新日期:2022-04-25
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