Comparative study on structural, electronic and optical properties of metal oxide nanoparticles: computational and experimental approach

The optically active gallium oxide (Ga₂O₃), magnesium oxide (MgO), nickel oxide (NiO) and zinc oxide (ZnO) nanoparticles were synthesized by green combustion method. The structural, morphological, optical and luminescence properties of prepared nanoparticles were analyzed. The first-principle calculations were performed to understand the electronic and optical properties. X-ray diffraction study confirms the polycrystalline nature and phase purity. Combustion-driven nanomaterials exhibit agglomerated, non-uniform and porous morphology. UV–visible (UV–Vis) spectroscopy was employed to explore linear and nonlinear optical (NLO) properties. The considered nanomaterials exhibit a strong response in the UV region and a wide bandgap (2–4.5 eV). The optical constants such as linear and nonlinear refractive index, optical and electrical conductivity, third-order nonlinear optical susceptibility were determined. The photoluminescence (PL) spectra reveal distinct emission peaks for each nanomaterial. Also, chromaticity and lifetime of PL emissions were discussed.

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