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

Yun-Sim KimChol-Hyok RiYun-Hyok KyeUn-Gi Jong Chol-Jun Yu

Published in: Chemical communications (Cambridge, England) (2022)

Interfaces composed of three-dimensional (3D) and 2D organic-inorganic hybrid formamidinium lead iodide (FAPbI 3 ) 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.

Keyphrases

water soluble
molecular dynamics
density functional theory
ionic liquid
room temperature
solid state