Tamiru Kebede, M. Abebe, Dhakshnamoorthy Mani, Aparna Thankappan, Sabu Thomas, Jung Yong Kim
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引用次数: 0
摘要
全无机包晶半导体因其潜在的耐热性和耐湿性而备受关注。然而,典型的 CsPbI3 尽管具有 ~1.73 eV 的理想带隙,却显示出相不稳定性。在这里,我们通过改变银的掺杂浓度来研究混合卤化物包晶 CsPbI2Br。为此,我们利用密度泛函理论研究了其带隙的可调谐性与银掺杂量的函数关系。然后,我们研究了银对 CsPbI2Br 结构和光学特性的影响。结果发现,"银掺杂 "使部分带隙可调性从 1.91 eV 提高到 2.05 eV,使光致发光(PL)寿命从 0.990 ns 提高到 1.187 ns,最后,在通过 X 射线衍射研究老化效应时,还有助于提高结构稳定性。然后,通过基于溶解度参数的分子间相互作用分析,我们解释了与 CsPbI2Br 薄膜中溶剂捕集现象有关的溶剂工程过程。然而,银掺杂可能会在薄膜形成过程中诱发缺陷形态(如针孔)。
Silver-Doped CsPbI2Br Perovskite Semiconductor Thin Films
All-inorganic perovskite semiconductors have received significant interest for their potential stability over heat and humidity. However, the typical CsPbI3 displays phase instability despite its desirable bandgap of ~1.73 eV. Herein, we studied the mixed halide perovskite CsPbI2Br by varying the silver doping concentration. For this purpose, we examined its bandgap tunability as a function of the silver doping by using density functional theory. Then, we studied the effect of silver on the structural and optical properties of CsPbI2Br. Resultantly, we found that ‘silver doping’ allowed for partial bandgap tunability from 1.91 eV to 2.05 eV, increasing the photoluminescence (PL) lifetime from 0.990 ns to 1.187 ns, and, finally, contributing to the structural stability when examining the aging effect via X-ray diffraction. Then, through the analysis of the intermolecular interactions based on the solubility parameter, we explain the solvent engineering process in relation to the solvent trapping phenomena in CsPbI2Br thin films. However, silver doping may induce a defect morphology (e.g., a pinhole) during the formation of the thin films.