Insights into the electronic, magnetic structure, and photocatalytic activity of Y(2)CuMnO(6) double perovskite

对Y(2)CuMnO(6)双钙钛矿的电子结构、磁结构和光催化活性的深入研究

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Abstract

This research aims to develop Y(2)CuMnO(6) 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 Y(2)CuMnO(6) 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 Y(2)CuMnO(6) exhibits characteristics of a ferromagnetic semiconductor with low effective mass. The Jahn-Teller active Cu(2+) ion induces local distortions, contributing to the stabilization of the low-symmetry monoclinic structure (P2(1)/n). The ferromagnetic superexchange mechanism is attributed to the overlap between the empty e(g) band of Mn(4+) and the partially filled e(g) band orbital of Cu(2+). The Y(2)CuMnO(6) 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 Y(2)CuMnO(6) double perovskite achieved enhanced photocatalytic activity compared to commercial P25 TiO(2). It demonstrated the remarkable photocatalytic properties of the Y(2)CuMnO(6) catalyst indicating its significant potential for diverse environmental applications.

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