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Prediction study of structural, thermal, and optical characterization of Co0.6Zn0.4Fe2O4 cubic spinel synthesized via sol-gel method for energy storage

Authors: Messaoudi, A.; Omri, A.; Benali, A.; Ghebouli, MA; Djemli, A.; Fatmi, M.; Habila, A.; Alothman, A.; Hamdaoui, N.; Ajjel, R.; Costa, BFO; Graca, MFP; Khirouni, K.

Ref.: J. Korean Phys. Soc. 84 (12), 958-968 (2024)

Abstract: In this comprehensive study, we synthesized Co0.6Zn0.4Fe2O4 cubic spinel via the sol-gel method and characterized its structural, thermal, and optical properties. X-ray diffraction (XRD) verified the crystallization within the cubic Fd-3 m space group, and a detailed analysis determined a crystallite size ranging from 47 to 58 nm. Notably, the calculated crystallite size of 49.4 nm revealed inherent limitations in Scherer´s formula, which does not account for intrinsic strain effects from crystal defects, grain boundaries, and stacking. Optical investigations, utilizing UV-Vis absorption spectroscopy, unveiled a direct optical band gap of 1.26 eV, suggesting semiconductor behavior. The material´s thermal conductivity was found to be highly temperature sensitive, reaching its maximum value for both spin orientations at 900 K, with a quantified value of ke/tau = 4 x 1014 W/(mKs). This thermal behavior, along with the observed disorder (Eu value of 1.41 eV) and higher Urbach energy, offers valuable insights into the material´s response under varying temperature conditions, essential for applications in diverse technological domains.

DOI: 10.1007/s40042-024-01078-8