Improving the stability of hybrid perovskite FAPbI3 by forming 3D/2D interfaces with organic spacers

Abstract

Interfaces composed of three-dimensional (3D) and 2D organic–inorganic hybrid formamidinium lead iodide (FAPbI₃) linked by organic spacers (OSs) are studied using first-principles calculations. The OS cations with aromatic rings, like phenylethylammonium and anilinium (AN), are found to be more favourable for enhancing the stability of the 3D/2D interface than butylammonium with aliphatic chains. The AN-based interface shows the highest resistance to penetration of water molecules.