卤化物
锡
激发态
钙钛矿(结构)
带隙
材料科学
激子
光电子学
密度泛函理论
半导体
四方晶系
化学物理
凝聚态物理
化学
结晶学
无机化学
计算化学
晶体结构
原子物理学
物理
冶金
作者
Yahui Li,Hongzhi Zhou,Zhihao Gong,Ming Xia,Yanxin Han,Xin Sheng,Tianyu Wang,Hua Wang,Haiming Zhu,Enzheng Shi
标识
DOI:10.1016/j.xcrp.2024.102020
摘要
Two-dimensional (2D) tin halide perovskites have attracted significant interest due to their exceptional optoelectronic properties, high carrier mobility, and low toxicity. However, a fundamental understanding of the correlation between the structure and the photo-excited carriers' behavior remains ambiguous. Herein, we synthesize (PEA)2MAn−1SnnI3n+1 (n = 1–4) single crystals with tunable quantum-well thickness (n value). The structure distortion and optoelectronic properties are influenced by the n value. Our density functional theory calculations reveal that the energy band gap and carrier lifetime are closely related to the n value due to the quantum confinement and dielectric screening. Remarkably, unlike lead halide perovskites, 2D tin halide perovskites consistently exhibit excitons as the dominant photo-excited carriers, irrespective of the n values. These findings offer critical insights into designing and fabricating high-performance optoelectronic devices based on 2D tin halide perovskites, particularly in terms of tuning their properties through n values.
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