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

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 eg band of Mn4+ and the partially filled eg 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.