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

IF 2.9 3区物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY

The European Physical Journal Plus Pub Date : 2025-10-11 DOI:10.1140/epjp/s13360-025-06920-x

Vinayakprasanna N. Hegde

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Abstract

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.

Graphical abstract

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金属氧化物纳米颗粒结构、电子和光学性质的比较研究：计算和实验方法

采用绿色燃烧法合成了具有光学活性的氧化镓（Ga2O3）、氧化镁（MgO）、氧化镍（NiO）和氧化锌（ZnO）纳米颗粒。对制备的纳米粒子的结构、形态、光学和发光性能进行了分析。进行第一性原理计算以了解其电子和光学性质。x射线衍射研究证实了其多晶性质和相纯度。燃烧驱动的纳米材料表现出凝聚、不均匀和多孔的形貌。紫外-可见光谱（UV-Vis）用于研究材料的线性和非线性光学特性。所考虑的纳米材料在紫外区表现出强烈的响应和宽的带隙（2-4.5 eV）。测定了线性和非线性折射率、光学和电导率、三阶非线性光磁化率等光学常数。光致发光（PL）光谱显示出不同的发射峰的纳米材料。此外，还讨论了PL发射的色度和寿命。图形抽象

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来源期刊

The European Physical Journal Plus PHYSICS, MULTIDISCIPLINARY-

CiteScore

5.40

自引率

8.80%

发文量

1150

审稿时长

4-8 weeks

期刊介绍： The aims of this peer-reviewed online journal are to distribute and archive all relevant material required to document, assess, validate and reconstruct in detail the body of knowledge in the physical and related sciences. The scope of EPJ Plus encompasses a broad landscape of fields and disciplines in the physical and related sciences - such as covered by the topical EPJ journals and with the explicit addition of geophysics, astrophysics, general relativity and cosmology, mathematical and quantum physics, classical and fluid mechanics, accelerator and medical physics, as well as physics techniques applied to any other topics, including energy, environment and cultural heritage.