Fluorescent Alloy CsPbxMn1–xI3 Perovskite Nanocrystals with High Structural and Optical Stability,ACS Energy Letters

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Fluorescent Alloy CsPbxMn1–xI3 Perovskite Nanocrystals with High Structural and Optical Stability
ACS Energy Letters ( IF 19.3 ) Pub Date : 2017-08-31 00:00:00 , DOI: 10.1021/acsenergylett.7b00707
Quinten A. Akkerman _{1,

2} , Daniele Meggiolaro _{3,

4} , Zhiya Dang ₁ , Filippo De Angelis _{3,

4} , Liberato Manna ₁

Affiliation

CsPbI₃ nanocrystals are still limited in their use because of their phase instability as they degrade into the yellow nonemitting δ-CsPbI₃ phase within a few days. We show that alloyed CsPb_xMn_1–xI₃ nanocrystals have essentially the same optical features and crystal structure as the parent α-CsPbI₃ system, but they are stable in films and in solution for periods over a month. The stabilization stems from a small decrease in the lattice parameters slightly increasing the Goldsmith tolerance factor, combined with an increase in the cohesive energy. Finally, hybrid density functional calculations confirm that the Mn²⁺ levels fall within the conduction band, thus not strongly altering the optical properties.

中文翻译：

具有高结构和光学稳定性的荧光合金CsPb _x Mn _{1– x} I ₃钙钛矿纳米晶体

CsPbI ₃纳米晶仍然是有限的在他们的使用，因为它们的相位不稳定的，因为它们降解成黄色nonemittingδ-CsPbI ₃在几天之内相。我们表明，合金化CSPB _X的Mn _{1- X}我_3个纳米晶体具有基本相同的光学特性和晶体结构作为母体α-CsPbI ₃系统，但它们是稳定的在膜和在超过一个月期间溶液。之所以稳定，是因为晶格参数略有降低，从而使Goldsmith容差系数略有增加，同时内聚能也有所增加。最后，混合密度泛函计算证实了Mn ²⁺ 能级落在导带之内，因此不会强烈改变光学性能。

更新日期：2017-09-04

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