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
Muhammad Haider Saleem , Shaista Ali , Muhammad Akhyar Farrukh , Syed Sajid Ali Gillani
{"title":"Investigating the properties of cubic and hexagonal Nd2O3 nanoparticles for optics & energy storage material: Experimental and DFT approach","authors":"Muhammad Haider Saleem ,&nbsp;Shaista Ali ,&nbsp;Muhammad Akhyar Farrukh ,&nbsp;Syed Sajid Ali Gillani","doi":"10.1016/j.ssc.2025.115836","DOIUrl":null,"url":null,"abstract":"<div><div>Nd<sub>2</sub>O<sub>3</sub> 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 Nd<sub>2</sub>O<sub>3</sub> 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<sup>−1</sup> and ED-XRF indicates the 99.5 % pure Nd<sub>2</sub>O<sub>3</sub>, while the particle size of less than &lt;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 Nd<sub>2</sub>O<sub>3</sub>. The DFT analysis gave us information about their electronic band structure along with the density of states &amp; 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 &amp; high electron density in Hexagonal structure.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"397 ","pages":"Article 115836"},"PeriodicalIF":2.1000,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Solid State Communications","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0038109825000110","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
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.

Abstract Image

求助全文
约1分钟内获得全文 求助全文
来源期刊
Solid State Communications
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.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信