Lead-free europium and ytterbium perovskites

Abstract

Halide perovskite is a material with fantastic properties that could substantially impact next-generation optoelectronics. However, toxic Pb cations in the most excellent and stable perovskites have raised environmental concerns and hindered their commercialization. A new lead-free perovskite material needs to be discovered and address this issue. This research predicts that MAEuCl₃ and MAYbCl₃ are dynamic stable structures with wide band gap properties, making them promising lead-free perovskites. The study discusses these two new perovskites' XRD, electrical conductivity, and carrier mobility. Based on the properties of Eu²⁺ and Yb²⁺ perovskites, the iodide-based variant is suitable for device operation within the temperature range of 400 K to 600 K. The bromide-based perovskite is appropriate for temperatures ranging from 500 K to 700 K. In comparison, the chloride-based perovskite can be used for device operation in the higher temperature range of 800 K to 1100 K. Additionally, this research identifies the dynamic stability issue of lanthanide cations in halide perovskites, providing a reference for future lead-free perovskite applications.