钴掺杂对xCo:NiO晶格结构、光学和电子特性的影响

IF 1.7 4区 化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR
J. Mangaiyarkkarasi, D. Sivaganesh, S. Sasikumar
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引用次数: 0

摘要

利用钴的x值分别为0.00、0.02、0.04、0.06和0.08,采用经济有效的共沉淀法制备了xCo:NiO纳米结构。我们随后的研究包括使用各种技术对所得样品进行彻底的表征,包括粉末x射线衍射(PXRD),紫外可见分光光度法(UV-Vis)和傅里叶变换红外光谱法(FTIR)。PXRD数据分析显示,通过应用Scherrer公式确定的平均晶粒尺寸为33 ~ 44 nm。利用XRD数据提取晶格常数、胞体体积、位错密度、微应变等参数。最大熵方法的应用使得对钴掺杂NiO单晶胞内的电子结构和原子间键的探索成为可能。这些研究表明,钴的掺入验证了镍和氧之间的共价键强度,正如中间键密度值所证明的那样。通过UV-Vis分析,我们确定了光学带隙(Eg)值在3.210-3.316 eV之间。FTIR结果显示,在合成过程的各个阶段都存在重要的官能团。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Impact of cobalt doping on the structural, optical, and electronic characteristics of xCo:NiO crystal lattice

We employed a cost-effective co-precipitation method to fabricate nanostructures of xCo:NiO where x values of cobalt 0.00, 0.02, 0.04, 0.06, and 0.08 were utilized. Our subsequent investigation included a thorough characterization of the resulting samples using various techniques, including Powder X-ray diffraction (PXRD), UV–Visible spectrophotometry (UV–Vis) and Fourier Transform Infrared spectroscopy (FTIR). Analysis of the PXRD data unveiled an average crystallite size spanning from 33 to 44 nm, determined through the application of the Scherrer formula. The XRD data were used to extract parameters such as lattice constant, cell volume, dislocation density, and microstrain. The application of the maximum entropy method allowed for an exploration of the electronic structure and interatomic bonding within the unit cell of cobalt-doped NiO. These investigations revealed that the incorporation of cobalt authenticates the covalent bond strength between nickel and oxygen, as evidenced by the mid-bond density values. Employing UV–Vis analysis, we determined the optical band gap (Eg) values and falls within the range of 3.210–3.316 eV. The FTIR findings revealed the existence of significant functional groups at various stages of the synthesis process.

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来源期刊
Transition Metal Chemistry
Transition Metal Chemistry 化学-无机化学与核化学
CiteScore
3.60
自引率
0.00%
发文量
32
审稿时长
1.3 months
期刊介绍: Transition Metal Chemistry is an international journal designed to deal with all aspects of the subject embodied in the title: the preparation of transition metal-based molecular compounds of all kinds (including complexes of the Group 12 elements), their structural, physical, kinetic, catalytic and biological properties, their use in chemical synthesis as well as their application in the widest context, their role in naturally occurring systems etc. Manuscripts submitted to the journal should be of broad appeal to the readership and for this reason, papers which are confined to more specialised studies such as the measurement of solution phase equilibria or thermal decomposition studies, or papers which include extensive material on f-block elements, or papers dealing with non-molecular materials, will not normally be considered for publication. Work describing new ligands or coordination geometries must provide sufficient evidence for the confident assignment of structural formulae; this will usually take the form of one or more X-ray crystal structures.
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