Structural Continuity and Orientation Effects of Organometallic Perovskites

Abstract

Organometallic perovskite is well known for its excellent optoelectronic properties, which can enable the next generation of optoelectronics. Despite its excellent charge generation, diffusion length, and bandgap properties, the transport mechanism plays a crucial role in device operation. Generated carriers (holes and electrons) move through both the bulk and interfaces, where defects can trap them. Extensive research has shown that quasi-2D, cation/anion engineering, and MACl-modified are widely applied, leading to enhanced stability and device performance. However, modified perovskites often lead to structural disorientation, resulting in recombination or charge accumulation within the perovskite lattice. In this article, quasi-2D and modified 3D perovskite MACl-modified and cation/anion engineering) are compared. Specifically, phenethylammonium iodide (PEAI) is used as a 2D spacer in quasi-2D perovskite, 3D perovskite is modified by methylammonium chloride (MACl) as an additive, along with methylamine (MA), formamidinium (FA), Iodine, and bromine engineering. Both materials exhibit proper optical and electronic characteristics, but the final solar cell performance differs significantly. Devices with quasi-2D perovskite exhibit multiple n-values with distorted perovskite orientation, whereas device of modified 3D perovskite leads to superior device performance, achieving up to 22.6% power conversion efficiency (PCE). Therefore, this article highlights the importance of 3D perovskite continuity in perovskite solar cells (PSCs).

Graphical Abstract

This study compares quasi-2D and MACl-modified 3D perovskites in solar cells, emphasizing structural orientation and charge transport. Quasi-2D perovskites exhibit multiple n-values with lattice distortion, while modified 3D perovskites, engineered via cation/anion tuning and MACl-modification, retain structural integrity, achieving 22.6% power conversion efficiency. These findings underscore the importance of lattice continuity in enhancing performance.