X-ray crystallographic structural Profiling of Polyvinyl Alcohol (PVA) caped Nickel Oxide Nanoparticle

Nano Trends Pub Date : 2025-03-26 DOI:10.1016/j.nwnano.2025.100106

Mahfuzul Islam , Md. Tarikul Islam , Md. Khalid Hossain Shishir , Md. Ashikur Rahaman , Shanawaz Ahmed , Sumaiya Islam Sadia , Md. Ashraful Alam

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Abstract

A unique simple co-precipitation method was developed for synthesizing highly crystalline nickel oxide nanoparticles (NiO NPs) where poly vinyl alcohol (PVA) solution as capping agent. Rietveld refinement analysis explored whole powder pattern fitting (WPPF) method confirmed resulting nanoparticles (NPs) consist of 87 % pure NiO phase. X-ray diffraction (XRD) analysis revealed a distinct hexagonal NiO crystalline phase, with lattice parameters a=b= 2.955 Å, c= 7.2434 Å, and angles α=β= 90 ° and γ=120 ° The predominant (0 1 2) plane, associated with the strongest diffraction at 2θ= 43.228 °, underscored the crystallinity of the material. Key crystallographic parameters include an average dislocation density of 0.00206 nm⁻², lattice strain of 0.27 %, a unit cell volume of 54.776 Å³, a specific surface area of 41.435 m²/g, micro-strain of 0.00288, crystallinity index of 2.174 and an atomic packing factor (APF) of 64.9 %. Remarkably, 47.21 % of the synthesized NiO NPs demonstrated a crystallinity closely aligned with ICDD standard. Transmission electron microscopy (TEM) imaging showing a uniform distribution of NPs throughout the inner core structure spherical in shape and an average particle size of 48 nm in interface. Without nickel and oxygen signal, no signals were found that conform the purity of NiO NPs where nickel and oxygen were 67 % and 33 %. This study offers a detailed analysis of the enhanced crystallinity through comprehensive approaches.

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聚乙烯醇（PVA）包覆氧化镍纳米颗粒的x射线晶体结构分析

以聚乙烯醇（PVA）溶液为封盖剂，建立了一种独特的共沉淀法合成高结晶氧化镍纳米颗粒（NiO NPs）。Rietveld细化分析探索了全粉末模式拟合（WPPF）方法，证实所得纳米颗粒（NPs）由纯度为87%的NiO相组成。x射线衍射（XRD）分析表明，该材料具有明显的六方NiO晶相，晶格参数为a=b= 2.955 Å， c= 7.2434 Å，角为α=β= 90°和γ=120°。在2θ= 43.228°处衍射最强，主要为0 12面。主要晶体学参数包括平均位错密度为0.00206 nm⁻²，晶格应变为0.27%，单位胞体积为54.776 Å³，比表面积为41.435 m²/g，微应变为0.00288，结晶度指数为2.174，原子堆积系数（APF）为64.9%。值得注意的是，47.21%的合成NiO NPs的结晶度与ICDD标准密切相关。透射电子显微镜（TEM）成像显示，纳米粒子均匀分布在整个内核结构中，形状为球形，界面平均粒径为48 nm。没有镍和氧信号，没有发现符合NiO NPs纯度的信号，镍和氧分别为67%和33%。本研究通过综合的方法对结晶度的增强进行了详细的分析。

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