Synergistic Enhancement of Luminescence Performance in Cs2agincl6 Double Perovskite Through Water Molecule Incorporation and Bi Ion Doping

Abstract

Recently, double perovskite materials have emerged as an efficient solution to address the issues of lead toxicity and stability in luminescent materials. Among them, Cs2AgInCl6 stands out as a promising candidate. However, its luminescence efficiency is hindered by the presence of forbidden transitions. In this study, we propose a method to enhance the luminescence performance of Cs2AgInCl6 through the introduction of water molecules and Bi ion doping. The phase transition from Cs2InCl5·H2O to Cs2AgInCl6 was achieved, with the incorporation of water molecules breaking the forbidden transitions, significantly improving the luminescence properties. Further enhancement was observed with Bi ion doping, where the synergistic effect between water molecules and Bi ions led to a substantial increase in luminescence efficiency. By analyzing the effects of water molecules and Bi doping on the material’s structure and morphology, and combining these findings with first-principles calculations, we uncover the underlying mechanism by which these modifications regulate the electronic structure and energy bands, thereby explaining the observed improvements in luminescence performance.

Keywords: Cs2AgInCl6, Perovskites, crystal phase transition, water molecule incorporation