Neodymium-substituted nanostructured SrTiO3 nanoparticles with varying molar concentrations for optoelectronic device applications

IF 4.9 3区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Journal of Physics and Chemistry of Solids Pub Date : 2025-10-01 DOI:10.1016/j.jpcs.2025.113244

L. Sathya Priya , A. Clara Dhanemozhi , R. Marnadu

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引用次数: 0

Abstract

This study presents the synthesis of Strontium Titanate (ST) nanoparticles and Neodymium (Nd)-substituted Strontium Titanate nanoparticles with three distinct molar concentrations (0.02, 0.04, 0.06 mol %) using a versatile hydrothermal approach. The impact of incorporation of Nd ions on the structural, optical, morphological, and elemental properties of bare ST and Nd-substituted ST nanoparticles was systematically investigated through comprehensive characterization studies. X-ray diffraction (XRD) analysis verified that the prepared sample nanoparticles exhibit a well-defined spherical shape crystalline formation, having an average crystallite size decreases from 41 nm to 22 nm. Fourier Transform Infra red spectroscopy (FTIR) confirmed the existence of metal-oxygen bonds. Ultraviolet–visible (UV–Vis) spectral analysis revealed a strong absorption near the fundamental absorption edge at 315 nm, which gradually shifted toward the lower energy region up to 400 nm with increasing neodymium concentration. This shift indicates a decrease in the band gap energy (Eg) from 3.18 eV to 2.92 eV. Furthermore, the electronic band structure of SrTiO₃ nanoparticles was investigated using Density Functional Theory (DFT) calculations with the hybrid PBE functional approach. Field Emission Scanning Electron Microscopy (FESEM) micrograph unveiled nano rod and spherical morphology for bare ST while Nd concentration increases it shows spherical morphology, whereas Energy-Dispersive Spectroscopy (EDS) verified the elemental distribution and purity by confirming the presence of Sr, Ti, O, and Nd elements. High Resolution Transmission Electron Microscopy (HRTEM) and Selected Area Electron Diffraction (SAED) analysis was also confirm the formation of spherical phase nanoparticles. The current-voltage (I–V) behaviour and electrical parameters characteristics of the diode junction, including the ideality factor, barrier height, and reverse bias saturation current were found to be 2.5–3.2, 0.77–0.68 eV and 4.3 × 10⁻⁴ - 8 × 10⁻¹ A. These results underscore the promising potential of Nd-substituted Strontium Titanate nanoparticles as a novel material for multifunctional applications, contributing to advancements in electronic and optoelectronic technologies.

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不同摩尔浓度的钕取代纳米结构SrTiO3纳米颗粒在光电器件中的应用

本研究采用多用途水热法合成了三种不同摩尔浓度（0.02、0.04、0.06 mol %）的钛酸锶纳米颗粒和钕取代钛酸锶纳米颗粒。通过全面的表征研究，系统地研究了Nd离子掺入对裸ST和Nd取代ST纳米颗粒的结构、光学、形态和元素性质的影响。x射线衍射（XRD）分析证实，制备的纳米颗粒样品呈现出明确的球形晶体结构，平均晶粒尺寸从41 nm减小到22 nm。傅里叶变换红外光谱（FTIR）证实了金属-氧键的存在。紫外-可见（UV-Vis）光谱分析表明，在315 nm处，在基吸收边缘附近有较强的吸收，随着钕浓度的增加，在400 nm处逐渐向低能区转移。这种变化表明带隙能量（Eg）从3.18 eV下降到2.92 eV。此外，利用密度泛函理论（DFT）和混合PBE泛函方法研究了SrTiO3纳米粒子的电子能带结构。场发射扫描电镜（FESEM）显微照片显示，随着Nd浓度的增加，裸ST呈现纳米棒状和球形形貌，而能量色散光谱（EDS）通过确认Sr， Ti， O和Nd元素的存在来验证元素分布和纯度。高分辨率透射电子显微镜（HRTEM）和选择区域电子衍射（SAED）分析也证实了球形纳米颗粒的形成。二极管结的电流-电压（I-V）行为和电学参数特性，包括理想因子、势垒高度和反向偏置饱和电流分别为2.5 ~ 3.2、0.77 ~ 0.68 eV和4.3 × 10−4 ~ 8 × 10−1 A。这些结果强调了nd取代钛酸锶纳米颗粒作为一种多功能新材料的巨大潜力，有助于电子和光电子技术的进步。

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来源期刊

Journal of Physics and Chemistry of Solids 工程技术-化学综合

CiteScore

7.80

自引率

2.50%

发文量

605

审稿时长

40 days

期刊介绍： The Journal of Physics and Chemistry of Solids is a well-established international medium for publication of archival research in condensed matter and materials sciences. Areas of interest broadly include experimental and theoretical research on electronic, magnetic, spectroscopic and structural properties as well as the statistical mechanics and thermodynamics of materials. The focus is on gaining physical and chemical insight into the properties and potential applications of condensed matter systems. Within the broad scope of the journal, beyond regular contributions, the editors have identified submissions in the following areas of physics and chemistry of solids to be of special current interest to the journal: Low-dimensional systems Exotic states of quantum electron matter including topological phases Energy conversion and storage Interfaces, nanoparticles and catalysts.