Accelerated formation of photoactive formamidinium-based lead triiodide perovskite crystals by the addition of copper iodide

Chemistry of Inorganic Materials Pub Date : 2024-08-01 Epub Date: 2024-04-27 DOI:10.1016/j.cinorg.2024.100052
Riku Okumura, Takeo Oku, Atsushi Suzuki
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Abstract

Additions of copper iodide (CuI), rubidium iodide, or cesium iodide to perovskite precursor solutions accelerated the formation of the photoactive α-phase of formamidinium lead triiodide (FAPbI3) perovskite crystals. In particular, the addition of CuI suppresses the formation of low-dimensional perovskite phases, thereby reducing carrier transport. The first-principles calculations revealed that substituting Cu at the formamidinium site could maintain the effective mass ratios of the α-phase. The CuI addition to FAPbI3 is expected to enhance its photovoltaic properties. Moreover, introducing CuI into perovskite precursor solutions is suggested as a new approach to accelerate the formation of the photoactive α-FAPbI3 phase.

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通过添加碘化铜加速形成光活性甲脒基三碘化铅包晶石晶体
在包晶前驱体溶液中加入碘化铜(CuI)、碘化铷或碘化铯可加速形成甲脒三碘化铅(FAPbI3)包晶的光活性α相。特别是,CuI 的加入抑制了低维包晶石相的形成,从而减少了载流子的传输。第一性原理计算显示,在甲脒位点取代铜可以保持α相的有效质量比。将 CuI 添加到 FAPbI3 中有望增强其光电特性。此外,在过氧化物前驱体溶液中引入 CuI 被认为是加速形成光活性 α-FAPbI3 相的一种新方法。
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