Williamson-Hall Plot Research Articles

Local structural and sensing properties of TiO2 thin films using the PVD method

This paper studied the structural, morphological, optical, near-edge X-ray absorption fine structure spectroscopy (XANES) and sensing properties of a titanium dioxide (TiO2) thin film. The titanium dioxide thin film was prepared in a thin-film laboratory on a clean glass plate using a physical vapor deposition (PVD) method. The structural, morphological, optical and electronic properties of the fabricated samples were investigated using X-ray diffraction (XRD), atomic force microscopy (AFM), ultraviolet–visible spectroscopy and XANES. It was found from XRD that the crystallite size was ∼25.66 nm with a microstrain of ∼0.0064 using the Williamson–Hall plot. The fractal terms such as grain size, roughness, kurtosis and skewness were estimated using AFM. The grain size laid within the nanometric range and was found to be ∼77.21 nm. The band gap of the fabricated film was ∼3.23 eV. The XANES analysis was well supported by XRD measurement, and the results showed that the fabricated titanium dioxide thin film was in anatase phase. The sensing properties of titanium dioxide were studied for the detection of liquified petroleum gas (LPG) at concentrations of 0–5000 parts per million at room temperature. The results showed that the titanium dioxide film was highly sensitive and had a fast response as an LPG sensor with a maximum sensitivity of ∼198%.

Structural Parameters of CVD Synthesized Ga2O3 Nanostructures from X-ray Diffraction Analysis Derived by Scherrer, Williamson-Hall, Size-Strain Plot and Halder-Wagner Methods- A Comparative Study

Structural Parameters of CVD Synthesized Ga2O3 Nanostructures from X-ray Diffraction Analysis Derived by Scherrer, Williamson-Hall, Size-Strain Plot and Halder-Wagner Methods- A Comparative Study

Biosynthesis of zero-dimensional TiO2 nanostructures for potential photocatalytic applications

This study introduces a sustainable approach to synthesize zero-dimensional TiO2 nanostructures using Allium sativum (garlic) clove extract as a biogenic capping and reducing agent. The synthesized particles were dried at 80 ºC for 24 hours and calcined at 450 ºC for 2 hours. X-ray diffractometer (XRD), Field Emission Scanning Electron Microscopy (FESEM), UV-vis spectroscopy, and photocatalytic activity analysis were used to characterize the synthesized nanoparticles. The XRD pattern revealed the prevalence of the tetragonal anatase phase in the synthesized nanostructures, with an average crystallite size of 6.45 nm. The Williamson-Hall plot method was employed to evaluate the type of strain induced in the synthesized particles, and the crystallinity of TiO2 nanostructures was estimated to be 74.91%. The Rietveld analysis calculated the lattice parameters, cell volume, and other relevant parameters. FESEM image showed spherical nanostructures with an average size of 45.08 nm. UV-vis spectroscopy indicated an optically active region at ~361 nm, and the direct bandgap, calculated using the Tauc plot, was 3.28 eV. The photocatalytic efficiency of TiO2 for methylene blue degradation reached 86.23% within 90 minutes, showing its potential for environmental remediation.

Structural and Optical Properties of Red Emitting Y<sub>2</sub>O<sub>3</sub>: Eu Nanophosphor

Europium-doped yttrium oxide is an efficient red phosphor which has commercial significance. In this work Y2O3: Eu nanophosphor was prepared using wet chemical precipitation method followed by annealing. The results obtained from the sample’s X-ray diffraction experiments indicate that the material exhibits a cubic structure, showcasing an average crystallite size of 19nm. The value of micro strain as well as crystallite size was estimated using a Williamson-Hall plot and the positive value of micro strain thus obtained represents lattice elongation. Also, the corrected value of the lattice parameter established using the Nelson-Riley plot is 10.64Å. Ultraviolet (UV)-vis. absorption spectroscopy was employed for bandgap measurements, resulting in a direct bandgap of 6 eV. There was an increase in bandgap energy with respect to bulk (~5.8eV), which may be due to the size. On exciting the sample at 254nm, intense red emissions with a major peak at 611nm were observed which shows the applicability of this material in luminescence applications.

Structural and Optical Properties of Red Emitting Y<sub>2</sub>O<sub>3</sub>: Eu Nanophosphor

Europium doped yttrium oxide is an efficient red phosphor which have commercial significance. In this work Y<sub>2</sub>O<sub>3</sub>:Eu nanophosphor was prepared using wet chemical precipitation method followed by annealing. The results obtained from the sample's X-ray diffraction experiments indicate that the material exhibits a cubic structure, showcasing an average crystallite size of 19 nm. The value of micro strain as well as crystallite size was estimated using Williamson-Hall plot and the positive value of micro strain thus obtained represents lattice elongation. Also, the corrected value of lattice parameter established using Nelson-Riley plot is 10.64 Å. UV-vis. absorption spectroscopy was employed for bandgap measurements which resulted in a direct bandgap of 6 eV. There is an increase in bandgap energy with respect to bulk (~5.8 eV) and this may be due to size effect. On exciting the sample at 254 nm, intense red emission with major peak at 611 nm was observed which shows the applicability of this material in luminescence applications.

A comparative X-ray diffraction analysis of Sr2+substituted hydroxyapatite from sand lobster shell waste using various methods.

A comparative X-ray diffraction analysis of Sr2+substituted hydroxyapatite from sand lobster shell waste using various methods.

Investigation the Anisotropic Feature Using Structural and Mechanical Profile Analysis of Zinc Oxide (ZnO) Thin Film Growth Mechanism within the Framework of Williamson-Hall Estimation by Novel Electrostatic Spray Deposition (ESD) Technique

The aim of this study is to investigate the anisotropic effect of a systematic and easy approach to nanocrystalline ZnO (nZnO) thin film growth by employing the novel ESD technique at temperatures ranging from 300 °C to 500 °C. In this work, Zinc Chloride (ZnCl2) was used as the Zn source, which was dissolved in Ethanol (CH3CH2OH) to prepare three different 0.1 M concentrations of 20 ml for spray solution by ESD on conductive In2O3:Sn (ITiO)-coated alkali-free glass substrates. Next, Hydrochloric acid (HCl) was added to the prepared ESD solution in the following order: 0.0 M, 0.005 M, and 0.015 M, respectively. X-ray Diffraction (XRD) indicates the presence of hexagonal wurtzite structure for nZnO thin film. Structural Properties (STP) of the lattice phase were revealed using Bragg’s law. Moreover, the Mechanical Properties (MEP) of nZnO nanoparticles were examined using X-ray broadening utilizing Williamson-Hall (W-H) and sizestrain plot methods. Strain, stress, and energy density parameters were computed for the diffraction peaks of all samples for high temperatures of 400 °C and, 500 °C exploiting the Uniform Deformation Model (UDM), Uniform Stress Deformation Model (USDM), Uniform Deformation Energy Density Model (UDEDM), and the Size-Strain Plot technique (SSP). The mean particle size data exhibited a near interrelationship with W-H analysis, SSP, and the Debye–Scherrer (D-S) methods at 500 °C temperature. The results from the XRD diffraction peak observations and properties analysis demonstrated the existence of an anisotropic countenance, which correlates with the excessive presence of leaving group [OH]- compounds in the ESD spray solutions. Due to excessive amount of [OH]- in the ESD spray solution, the ZnO thin film c-axis growth was suppressed and the a-axis growth was developed. The adhesion of anions was believed to be responsible for this suppression. The results and analysis also provided insight into how to develop a high-quality oxide-based crystal semiconductor that is economically viable for industrial and commercial applications of ESD-deposited semiconductor technology devices, specifically the growth mechanism for nZnO.

Relationship Between Elastic, Chemical, and Thermal Properties of SiO2 Flint Aggregate.

Understanding the relationship between elastic, chemical, and thermal properties is essential for the prevention of the behavior of SiO2 flint aggregates during their application. In fact, the elastic properties of silica depend on chemical and heat treatment. In order to identify the crystallite sizes for natural SiO2 before and after chemical treatment samples, Williamson-Hall plots and Scherer's formulas are used. The silica nanofibers obtained and their microstructure changes under thermal and chemical treatment are characterized using different techniques (XRD, VP-SEM, TEM, FTIR, TDA, and TGA). Both the strains (ε) and the crystallite sizes (DW-H) are obtained from the slope and from the βcosθ-intercept of a graph, respectively. The crystalline quality is improved upon heating, as shown by the decrease in the FWHM of the SiO2(101) peaks, which is confirmed by Fourier transform infrared spectroscopy (FTIR). The microstrain estimated at 1.50 × 10-4 units for natural SiO2 is smaller than that for SiO2 after chemical attack which is estimated at 2.01 × 10-4 units. Based on the obtained results, SiO2 characterized with controlled micromechanical, thermal, and chemical properties may be used as a filler to improve the performance properties of the strength, microstructure, and durability of some composites.

Boosting nickel nanoferrite’s specific capacitance with Azadirachta Indica for advanced supercapacitors

Boosting nickel nanoferrite’s specific capacitance with Azadirachta Indica for advanced supercapacitors

The impact of heating rate on the synthesis of Ca3Co4O9 using rice starch as a soft template

The impact of heating rate on the synthesis of Ca3Co4O9 using rice starch as a soft template

Effect of La concentration on phase formation, local structure and optical properties of Sr1-xLaxTiO3 nanoparticles

Effect of La concentration on phase formation, local structure and optical properties of Sr1-xLaxTiO3 nanoparticles

Advancements in non-destructive archaeometric analysis of ancient ferrous artefacts: insights from SR-X-Ray diffraction investigation using model alloys

The exploration of archaeological heritage aims at understanding past societies through the study of ancient materials. While archaeometric analysis provides valuable insights, invasive sampling raises ethical concerns and is often restricted, necessitating the development of non-invasive techniques. This study presents a methodology based on X-Ray Diffraction using synchrotron radiation. The approach involves the elaboration and characterization of model alloys, with X-ray data analysis using Rietveld refinement and Williamson-Hall plot method. Phase identification along with crystallographical investigations conducted on three medieval armours provides insights into manufacturing techniques and highlights the method’s limitation.

X-ray crystallographic diffraction study by whole powder pattern fitting (WPPF) method: Refinement of crystalline nanostructure polymorphs TiO2

X-ray crystallographic diffraction study by whole powder pattern fitting (WPPF) method: Refinement of crystalline nanostructure polymorphs TiO2

Optimization of structural, optical, dielectric and magnetic properties of Gd3+ substituted Mg-Mn mixed spinel ferrite ceramics

Optimization of structural, optical, dielectric and magnetic properties of Gd3+ substituted Mg-Mn mixed spinel ferrite ceramics

Synthesis and Characterization of Zn-doped SnO2 Nanoparticles through Co-Precipitation Technique: A Comprehensive Analysis

Tin oxide (SnO₂) nanoparticles are of significant interest due to their unique properties and diverse applications. In this study, pristine and Zn-doped SnO₂ nanoparticles (with Zn doping levels of 1.9 wt% and 3.7 wt%) were successfully synthesized using the co-precipitation method, followed by annealing at 500 °C for 5 hours. X-ray diffraction (XRD) analysis confirmed that all samples exhibited a tetragonal cassiterite structure, with crystallite sizes ranging from 22.5 nm to 28.2 nm, consistent with values obtained from the Williamson-Hall (W-H) plot. The nanoparticles demonstrated preferential orientation along the (110), (101), and (211) planes. Scanning Electron Microscopy (SEM) showed that the Zn-doped SnO₂ nanoparticles had a denser microstructure compared to the pristine samples. The energy band gap, as determined by diffuse reflectance spectroscopy, was found to be in the range of 3.10 eV to 3.16 eV. Fourier Transform Infrared (FTIR) spectroscopy revealed characteristic peaks at 459 cm⁻¹, 604 cm⁻¹, 924 cm⁻¹, 1976 cm⁻¹, 2117 cm⁻¹, and 3651 cm⁻¹, corresponding to the vibrations of various functional groups present in the material.

Assessing the electromagnetic shielding effectiveness of coconut coir composites with varying iron particle concentrations

This study investigates the electromagnetic shielding effectiveness of Coconut Coir-based Porous Carbon (CCPC) composites with varying iron (Fe) particle concentrations, specifically focusing on four different weight ratios of CCPC/Fe-80, CCPC/Fe-60, CCPC/Fe-40, and CCPC/Fe-20. The novelty of this work lies in the use of sustainable coconut coir as a base material, emphasizing its eco-friendly and cost-effective attributes for Electromagnetic interference (EMI) shielding applications. The significance of varying iron particle concentrations is highlighted to optimize electromagnetic shielding effectiveness. Comprehensive analyses were conducted on these composites. X-Ray Diffraction (XRD) analysis confirmed the presence of crystalline Fe particles and amorphous carbon, with crystalline sizes determined via Williamson-Hall (W-H) plot, Scherrer Equation, and Strain Size Plot (SSP) ranging from 17.33 nm to 18.01 nm for the former. Raman spectroscopy revealed distinctive D and G bands, with intensity ratios indicating a slight increase in structural disorder with higher Fe content. UV-Visualization spectroscopy demonstrated distinct absorption peaks, with higher Fe content resulting in more pronounced absorbance and lower band gap energies. Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray Spectroscopy (EDS) analyses provided detailed insights into the material's microstructure and elemental composition, confirming the successful integration of Fe particles within the porous carbon matrix. Vector Network Analyzer (VNA) testing measured the reflection loss (RL), showing values in the range of −26.4 dB to −20.2 dB, for 2 mm thick samples, corresponding to electromagnetic wave attenuation of over 99%. These results underscore the potential of CCPC/Fe composites, particularly in applications requiring effective Electromagnetic (EM) wave attenuation. This research offers a sustainable and cost-effective solution, contributing significantly to the field of materials science by enhancing electromagnetic compatibility in various technological applications.

Insights and perspectives on PVDF/MgO NCs films: Structural and optical properties for optoelectronic device applications

Insights and perspectives on PVDF/MgO NCs films: Structural and optical properties for optoelectronic device applications

Excipient-Induced Lattice Disorder inActive Pharmaceutical Ingredient: Implications on Drug Product Continuous Manufacturing.

Our previous work (Mol Pharm, 20 (2023) 3427) showed that crystalline excipients, specifically anhydrous dibasic calcium phosphate (DCPA), facilitated the dehydration of carbamazepine dihydrate (CBZDH) and the formation of an amorphous product phase during the mixing stage of continuous tablet manufacturing. Understanding the mechanism of this excipient-induced effect was the object of this study. Blending with DCPA for 15 min caused pronounced lattice disorder in CBZDH. This was evident from the 190% increase in the apparent lattice strain determined by the Williamson-Hall plot. The rapid dehydration was attributed to the increased reactivity of CBZDH caused by this lattice disorder. Lattice disorder in CBZDH was induced by a second method, cryomilling it with DCPA. The dehydration was accelerated in the milled sample. Annealing the cryomilled sample reversed the effect, thus confirming the effect of lattice disorder on the dehydration kinetics. The hardness of DCPA appeared to be responsible for the disordering effect. DCPA exhibited a similar effect in other hydrates, thereby revealing that the effect was not unique to CBZDH. However, its magnitude varied on a case-by-case basis. The high shear powder mixing was necessary for rapid and efficient powder mixing during continuous drug product manufacturing. The mechanical stress imposed on the CBZDH, and exacerbated by DCPA, caused this unexpected destabilization.

Study on the Structure, Morphology, Dielectric, and Piezoelectric Properties of Large-Grain (Ba0.85Sr0.15)1-x Pb x TiO3 Ceramic System for 0.02 ≤ x ≤ 0.08.

Barium strontium lead titanate ((Ba0.85Sr0.15)1-x Pb x TiO3), along with various compositions (x(mol %) = 0, 2, 4, and 8), was synthesized through the conventional sol-gel reaction method. Following this, the resultant powders underwent a carefully controlled calcination process at 1000 °C for a period of 4 h. The examination of the crystalline phase of the calcined ceramics was conducted at room temperature using X-ray diffraction. Rietveld refinement of the XRD data, performed using FullProf, revealed that the samples exhibited a tetragonal structure within the space group P4mm. The impact of Pb doping on the lattice structure of BaSr1-x TiO3 was explored by analyzing the charge density distribution. The FTIR analysis unveiled a distinct absorptive band within the 450-600 cm-1 range, indicative of the stretching and bending vibrations associated with TiO6 octahedra. Notably, sintering the material at 1150 °C for 4 h resulted in improved densification, as observed in scanning electron microscopy images showcasing a nearly uniform distribution of densely packed grains. Through the utilization of Williamson-Hall plots derived from XRD data, the average particle diameter was estimated to fall within the range of 131.87-141 nm, with an associated uncertainty ranging from 5 to 10%. Additionally, the dielectric characteristics unveiled the presence of a negative dielectric constant (εr) spanning the frequency range from 1 kHz to 2 MHz. The (Ba0.85Sr0.15)1-x Pb x TiO3 ceramic displayed a widespread occurrence of negative permittivity, emphasizing the influence of dielectric resonance. The investigation revealed that the sintered ceramic with the formula (Ba0.85Sr0.15)1-x Pb x TiO3 exhibited exceptional piezoelectric properties, achieving the highest piezoelectric constant (d33 = 137 pC/N) and electromechanical coupling factor (k p = 0.49).

Synthesis and characterization of hierarchical Sr-doped ZnO hexagonal nanodisks as an efficient photocatalyst for the degradation of methylene blue dye under sunlight irradiation

Synthesis and characterization of hierarchical Sr-doped ZnO hexagonal nanodisks as an efficient photocatalyst for the degradation of methylene blue dye under sunlight irradiation