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

This research aims to develop YCuMnO 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 YCuMnO 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 YCuMnO exhibits characteristics of a ferromagnetic semiconductor with low effective mass. The Jahn-Teller active Cu ion induces local distortions, contributing to the stabilization of the low-symmetry monoclinic structure (2/). The ferromagnetic superexchange mechanism is attributed to the overlap between the empty e band of Mn and the partially filled e band orbital of Cu. The YCuMnO 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 YCuMnO double perovskite achieved enhanced photocatalytic activity compared to commercial P25 TiO. It demonstrated the remarkable photocatalytic properties of the YCuMnO catalyst indicating its significant potential for diverse environmental applications.