Akademik Veri Yönetim Sistemi
Journal of Superconductivity and Novel Magnetism, cilt.38, sa.3, 2025 (SCI-Expanded, Scopus)
A sol–gel technique was utilized to synthesize magnesium oxide nanoparticles (MgO NPs) and compared to commercially available MgO NPs obtained from US Research Nanomaterials, Inc. X-ray diffraction (XRD) analysis revealed a highly crystalline cubic structure for both samples. Scanning electron microscopy (SEM) examinations showed that the synthesized MgO was nanoflakes (NFs), while the commercial MgO exhibited a spherical structure. The size of the crystallites was determined using the Scherrer method, showing a strong correlation with the SEM examination. In conjunction with the Tauc equation, UV–visible absorption spectroscopy was used to calculate the energy gap. The dielectric constants are determined for the entire spectrum and show very low values in the visible spectrum. Comparative antibacterial studies against Staphylococcus aureus (S. aureus) and Pseudomonas aeruginosa (P. aeruginosa) bacteria demonstrated that the synthesized NFs exhibited greater efficacy. Density functional theory (DFT) calculations using the Generalized Gradient Approximation with a Hubbard correction (GGA + U) revealed that the electronic characteristics of the MgO structure were primarily influenced by the oxygen 2p orbitals, with the band gap significantly impacted by the U parameter for oxygen. The determined band gaps for the synthesized and commercially available MgO nanostructure strongly agree with the experimental values. Density of states (DOS) analysis confirmed the difference in energy gap between the two nanostructures. The increased band gap of the synthesized NFs was associated with their reduced dimensions and unique structure, enhancing their antibacterial efficacy by facilitating superior attachment to bacterial cell surfaces.