四方晶系
卤化物
材料科学
半导体
带隙
密度泛函理论
点反射
量子点
电介质
相变
凝聚态物理
光电子学
纳米技术
相(物质)
物理
化学
量子力学
无机化学
作者
Laurent Pédesseau,Daniel Sapori,Boubacar Traoré,Roberto Robles,Hong‐Hua Fang,Maria Antonietta Loi,Hsinhan Tsai,Wanyi Nie,Jean-Christophe Blancon,Amanda Neukirch,Sergei Tretiak,Aditya Mohite,Claudine Katan,Jacky Even,Mikaël Képénékian
出处
期刊:ACS Nano
[American Chemical Society]
日期:2016-10-24
卷期号:10 (11): 9776-9786
被引量:346
标识
DOI:10.1021/acsnano.6b05944
摘要
Layered halide hybrid organic-inorganic perovskites (HOP) have been the subject of intense investigation before the rise of three-dimensional (3D) HOP and their impressive performance in solar cells. Recently, layered HOP have also been proposed as attractive alternatives for photostable solar cells and revisited for light-emitting devices. In this review, we combine classical solid-state physics concepts with simulation tools based on density functional theory to overview the main features of the optoelectronic properties of layered HOP. A detailed comparison between layered and 3D HOP is performed to highlight differences and similarities. In the same way as the cubic phase was established for 3D HOP, here we introduce the tetragonal phase with D4h symmetry as the reference phase for 2D monolayered HOP. It allows for detailed analysis of the spin-orbit coupling effects and structural transitions with corresponding electronic band folding. We further investigate the effects of octahedral tilting on the band gap, loss of inversion symmetry and possible Rashba effect, quantum confinement, and dielectric confinement related to the organic barrier, up to excitonic properties. Altogether, this paper aims to provide an interpretive and predictive framework for 3D and 2D layered HOP optoelectronic properties.
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