Synergetic Electrostatic and Steric Effects in α-FAPbI3 Single Crystals For X-Ray Detection and Imaging,Small

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Synergetic Electrostatic and Steric Effects in α-FAPbI3 Single Crystals For X-Ray Detection and Imaging
Small ( IF 13.0 ) Pub Date : 2024-05-21 , DOI: 10.1002/smll.202402277
Wei Jiang ₁ , Haibin Li ₁ , Dan Liu ₁ , Jiwei Ren ₁ , Yingying Zhao ₁ , Jiarui Wu ₂ , Jun Chen ₁ , Linsen Zhou ₁ , Feng Wang ₃ , Yiying Zhao ₁

Affiliation

It is still challenging to stabilize α-FAPbI₃ perovskite for high performance optoelectrical devices. Herein, a novel strategy is proposed utilizing the synergetic electrostatic and steric effect to stabilize the α-FAPbI₃ phase and suppress the ion migration. Dimethylamine (DMA⁺) cations are chosen as the dopant to fabricate FA_0.96DMA_0.04PbI₃ single crystals (SCs). DFT calculations reveal that DMA⁺ cations can improve the stability of α-FAPbI₃ phase in both thermodynamics (lower Gibbs free energy) and kinetics (higher defect formation and migration energy). The resulting SCs exhibit an environmental stability over 100 days and an extraordinary low dark current drift of 3.7 × 10⁻⁷ nA cm⁻¹ s⁻¹ V⁻¹, comparable to 2D perovskite SCs. The X-ray detectors have also achieved the-state-of-the-art performance in X-ray detection and imaging. This work demonstrates the significance of electrostatic and steric effects in improving the phase and operational stability of perovskites.

中文翻译：

用于 X 射线检测和成像的 α-FAPbI3 单晶中的协同静电和空间效应

为高性能光电器件稳定 α-FAPbI₃ 钙钛矿仍然具有挑战性。在此，提出了一种新的策略，利用协同静电和空间效应来稳定 α-FAPbI₃ 相并抑制离子迁移。选择二甲胺（DMA⁺）阳离子作为掺杂剂来制备 FA_0.96DMA_0.04PbI₃ 单晶（SCs）。DFT 计算表明，DMA⁺ 阳离子可以提高 α-FAPbI₃ 相在热力学（较低的吉布斯自由能）和动力学（较高的缺陷形成和迁移能）中的稳定性。所得 SC 在 100 天内表现出环境稳定性和 3.7 × ^10-7 nA ^cm-1 ^s-1 ^V-1 的极低暗电流漂移，可与 2D 钙钛矿 SC 相媲美。X 射线探测器在 X 射线检测和成像方面也取得了最先进的性能。这项工作证明了静电和空间效应在提高钙钛矿的相位和操作稳定性方面的重要性。

更新日期：2024-05-21

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