Insights into the electronic, magnetic structure, and photocatalytic activity of Y2CuMnO6 double perovskite

Abstract

This research aims to develop Y₂CuMnO₆ double perovskite, using a citrate auto combustion method, to be used as a photocatalyst for the degradation of organic dyes and antibiotics. XRD and Raman characterization revealed the synthesis of pure-phase Y₂CuMnO₆ double perovskite. The X-ray photoelectron spectroscopy results show the presence of +4 and +2 oxidation states of Mn and Cu ions. Our electronic structure analysis, Mott–Schottky, and UV-vis-NIR analysis suggest strong UV and visible region absorption. Our density functional theory analysis reveals that Y₂CuMnO₆ exhibits characteristics of a ferromagnetic semiconductor with low effective mass. The Jahn–Teller active Cu²⁺ ion induces local distortions, contributing to the stabilization of the low-symmetry monoclinic structure (P2₁/n). The ferromagnetic superexchange mechanism is attributed to the overlap between the empty e_g band of Mn⁴⁺ and the partially filled e_g band orbital of Cu²⁺. The Y₂CuMnO₆ double perovskite resulted in degradation efficiencies of 99%, 96%, and 95% of rhodamine B, methylene orange dyes, and tetracycline antibiotics, respectively. This study reveals that the Y₂CuMnO₆ double perovskite achieved enhanced photocatalytic activity compared to commercial P25 TiO₂. It demonstrated the remarkable photocatalytic properties of the Y₂CuMnO₆ catalyst indicating its significant potential for diverse environmental applications.