Investigating the properties of cubic and hexagonal Nd2O3 nanoparticles for optics & energy storage material: Experimental and DFT approach

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications Pub Date : 2025-01-15 DOI:10.1016/j.ssc.2025.115836

Muhammad Haider Saleem , Shaista Ali , Muhammad Akhyar Farrukh , Syed Sajid Ali Gillani

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引用次数: 0

Abstract

Nd₂O₃ is thermally stable at high temperatures which open up its wide applications such as in optics and energy storage material. In this paper, a novel solution combustion method is used for the synthesis of Nd₂O₃ nanoparticles with high direct band gap 5.7 (eV) calculated using wood-Tauc relation can act as the perfect inert material. FTIR confirms the characteristic Nd-O peak at the 660 cm⁻¹ and ED-XRF indicates the 99.5 % pure Nd₂O₃, while the particle size of less than <100 nm was confirmed by zeta potential in both crystalline structures. SEM analysis indicates the amorphous morphology and XRD confirmed cuboid shape crystalite structure at 600 °C with a crystallite size of 4.22 nm and hexagonal at 900 °C with crystallite size of 5.22 nm. Cyclic voltammetry confirms faradaic behavior in both structures of Nd₂O₃. The DFT analysis gave us information about their electronic band structure along with the density of states & optical properties which is close to the experimental and reported data that helps to predict their properties in different crystalline structures with high optical dielectric constants for Cubic structure & high electron density in Hexagonal structure.

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来源期刊

Solid State Communications 物理-物理：凝聚态物理

CiteScore

3.40

自引率

4.80%

发文量

287

审稿时长

51 days

期刊介绍： Solid State Communications is an international medium for the publication of short communications and original research articles on significant developments in condensed matter science, giving scientists immediate access to important, recently completed work. The journal publishes original experimental and theoretical research on the physical and chemical properties of solids and other condensed systems and also on their preparation. The submission of manuscripts reporting research on the basic physics of materials science and devices, as well as of state-of-the-art microstructures and nanostructures, is encouraged. A coherent quantitative treatment emphasizing new physics is expected rather than a simple accumulation of experimental data. Consistent with these aims, the short communications should be kept concise and short, usually not longer than six printed pages. The number of figures and tables should also be kept to a minimum. Solid State Communications now also welcomes original research articles without length restrictions. The Fast-Track section of Solid State Communications is the venue for very rapid publication of short communications on significant developments in condensed matter science. The goal is to offer the broad condensed matter community quick and immediate access to publish recently completed papers in research areas that are rapidly evolving and in which there are developments with great potential impact.