Experimental and DFT insights into optical and magnetic studies of graphene oxide/ZnFe2O4 nanocomposites for enhanced photodegradation

Functional nanoferrites are attracting interest in photocatalytic applications due to their intriguing and excellent optical and magnetic properties. In that order, as suitable adsorbents for wastewater treatment, graphene-based nanoferrites can be tuned. In this article, ZnFe₂O₄/GO nanocomposites have been prepared to study the structural, optical, magnetic, and photocatalytic properties through investigational (experimental) results and theoretical insights. Further, the synthesized nanocomposites fall under the mesoporous range with an average crystalline size of around 15–18 nm with good colloidal stability. Spherically agglomerated morphology has been observed by FE-SEM analysis. Magnetic characterizations were done by vibrating sample magnetometer (VSM) with superparamagnetic behavior at room temperature (RT). Optical insights reveal that the samples exhibit good photocatalytic properties with a degradation rate of 85.8% with methylene blue (MB) organic pollutant. Hence, this article aims to study the properties of prepared ZnFe₂O₄/GO nanocomposites through a detailed theoretical discussion of density functional theory (DFT).