Size-strain Plot Method Research Articles

Determination of Structural Elements of Hydrothermally Synthesized CeO₂ Nanoparticles by Monshi, Williamson–Hall, Halder–Wagner, and Size–Strain Plot Methods, and Effect of Annealing Temperature

AbstractCeO₂ nanoparticles are synthesized hydrothermally using CTAB as a surfactant, cerium nitrate hexahydrate (Ce(NO3)3·6H₂O) as a precursor and urea. The synthesized CeO₂ nanoparticles are characterized by Fourier transform infrared spectroscopy (FTIR), X‐ray diffraction peak profile analysis (XRD), Scanning electron microscopy (SEM), and UV–vis. The X‐ray diffraction results revealed that the sample is crystalline with a face centered cubic (fcc) phase having cubic fluorite structure. The structural elements of prepared samples have been investigated by various methods. The Monshi, W–H analysis, size–strain plot, and H–W methods are used to study crystallite sizes and lattice strain on the peak broadening of CeO₂ nanoparticles. Further, the lattice constant of the cubic fluorite has also been estimated from the Nelson–Riley plot. The parameters, including strain, stress, and energy density value, are calculated for all the reflection peaks of X‐ray diffraction corresponding to cubic fluorite phase of CeO₂ lying in the range 20°–80° and at different temperatures.

Unveiling the influence of synthesis techniques on crystallite size of CuInS2 nanostructures

Copper indium disulfide (CuInS2) nanostructures are synthesized by wet precipitation and sol–gel techniques. The high-resolution transmission electron microscopy (HRTEM) analysis exhibits nanorods (NR) and nanocubes (NC) of CuInS2 resulting from wet precipitation and sol–gel methods, respectively. Their characterizations are accomplished by UV–vis-NIR spectroscopy, dynamic light scattering (DLS), and x-ray diffraction (XRD) techniques. The particle size is obtained from HRTEM, UV–vis-NIR, and DLS analyses. Average crystallite size is estimated via Scherrer’s method (graphical and analytical), Monshi-Scherrer method, Williamson–Hall relations (uniform deformation, uniform stress deformation, and uniform deformation energy-density models), size-strain plot method, and Halder-Wagner relation using XRD profile which is also compared with as-obtained particle size. Moreover, the XRD pattern reflection peaks are used to assess more accurately energy density, lattice stress, and microstrain values. The results affirm NR have higher crystallite size (∼22 nm) than NC (∼16 nm). The outcomes demonstrate outstanding agreement of predicted average crystallite sizes using the different approaches.

Size-strain distribution analysis from XRD peak profile of (Mg, Fe) co-doped SnO2 nanoparticles fabricated using chemical co-precipitation route

In this study, we synthesize pristine and (Mg, Fe) co-doped SnO2 nanoparticles using the chemical co-precipitation method, where the Mg doping amount is fixed (2 mol%) and the amount of Fe is varied between 2 and 6 mol%. The narrow and sharp natures of intense XRD peaks notify that the crystallinity is pretty well. The formation of the single-phase tetragonal rutile type structure of all prepared compounds has been identified by Rietveld refinement, Fourier-transform infrared spectroscopy (FTIR), and Raman spectroscopy. Moreover, the well incorporation of Fe and Mg in SnO2 and absence of any other unexpected elements are confirmed by the energy dispersive X-ray spectroscopy. How the co-doping of Mg and Fe alter the crystallite size, microstrain, and dislocation density of the prepared samples have been investigated by Scherrer method with various modified version of it, Williamson-Hall method (W–H) in three factions (UDM, USDM, and UDEDM), Size strain plot (SSP) method, Halder-Wagner (H–W) method, Wagner-Aqua (W-A) method, and Warren-Averbach (WA) method. The obtained crystallite size using the WA method is smaller than the other methods and Scherrer-based methods show much comparable (except SLMSE) sizes. Additionally, the W–H, H–W, SSP, and W-A plots show almost similar tendency of decreasing crystal size, increasing dislocation density and lattice strain with increasing doping. The scanning electron microscopy (SEM) profiles revealed that the synthesized nanoparticles are agglomerated in nature, where the agglomeration increases with decreasing crystal size. The magnetic response of the prepared samples revealed a weak ferromagnetic (or soft magnetic) nature, where saturation magnetization increased due to doping, and a reducing trend of remanent magnetization and coercivity was explored which indicates the phase transition from ferromagnetic to paramagnetic. However, this soft magnetic nature was modified with the influence of defects like changes in lattice parameters, strain, and oxygen vacancy. This phase transition at higher doping concentration makes our nanomaterial as a suitable contender for memory devices, hyperthermia treatment, and photothermal effect.

Synthesis, characterization, and gas-sensing application of Cd0.5Zn0.5NdxFe2–xO4 nanoparticles

Fabrication of Cd0.5Zn0.5NdxFe2–xO4 nanoparticles, with x = 0.00, 0.01, 0.02, 0.04, 0.06, and 0.08, has been carried out using a wet chemical co-precipitation method. The effect of the rare earth Nd3+ doping on the prepared ferrites was structurally investigated using x-ray diffraction (XRD) along with Rietveld refinement. The results indicate great crystallinity in the FCC Fd3m spinel structure of Cd0.5Zn0.5NdxFe2–xO4 nanoparticles. The lattice parameter increases with the increase of doping concentration from 8.5378 until 8.5432 Å and the crystallite size obtained using Debye-Sherrer, Williamson–Hall, Size-strain plot (SSP), and Halder-Wagner (H-W) methods, decreases until the solubility limit of the materials is at x = 0.04. By using transmission electron microscopy (TEM), the morphological analysis reveals the spherical shape of the samples with minor agglomeration with the aid of using a Polyvinylpyrrolidone (PVP) capping agent. The grain size ranges from 14.37 to 15.24 nm. Raman spectroscopy verifies the incorporation of Nd3+ in the octahedral sites and the decrease in particle size. The elemental composition was verified using x-ray photoelectron spectroscopy (XPS). The magnetic properties were studied using a vibrating sample magnetometer (VSM) and it shows superparamagnetic behavior with a decrease in the saturation magnetization from 2.207 to 1.918 emu g−1 and an increase in coercivity from 7.194 to 14.397 G. The prepared materials were tested as liquefied petroleum gas (LPG) sensors by studying their sensitivity, selectivity, optimum working temperature, response, and recovery times. Nd3+ doping shows a great increase in LPG sensing sensitivity 4 to 20 times than the pure samples. The doping concentration also decreases the response and recovery times.

Physical properties of Pr3+ substituted zinc spinel (ZnPrxFe2−xO4) nanoferrites synthesized via sol–gel auto-combustion route

Spinel ferrites, a group of metal oxides, have garnered significant attention in the recent decade due to their high demand for numerous applications, including data storage and microwave device applications. In this context, we studied the effect of different doping concentrations of large Pr ions on the physicochemical properties of spinel lattice, such as dielectric and magnetic properties. In this research, we successfully fabricated a series of praseodymium ion-doped zinc spinel ferrites ZnPrxFe2-xO4 nanoparticles 0.00≤x≤0.20 via a simple and economical sol–gel auto-combustion approach. XRD (X-ray Diffraction Analysis) and FTIR investigations validate the presence of a cubical phase, with the crystallite size varying between 11 nm to 19 nm depending on the amount of Pr present. The Scherrer method, Williamson-Hall analysis (WH), and size-strain plot method (SSP) were investigated the correlation of crystalize size. The SSP approach has a better correlation coefficient than the WH method. Transmission electron microscopy TEM shows that the prepared material possessed the cubic and spherical symmetry. The significant variation in electrical parameters was discussed at an applied frequency ranging from 1 MHz to 3 GHz. The dielectric constant is approximately constant in low-frequency regions then relaxation peaks were observed at nearly 1.4 GHz and 2.2 GHz. The dielectric constant and complex dielectric constant of these samples dropped as the praseodymium content increased. Investigations regarding the magnetic properties were carried out using a vibrating sample magnetometer (VSM) at −23 k Oe to +23 k Oe. Low coercivity and relaxation peaks at high frequencies suggest that this material may be suitable for core materials, microwave technologies and recording media.

XPS studies and ferromagnetism evaluations of pure MgO and Fe- and Co-doped MgO nanoparticles

Magnesium oxide nanoparticles (MgO-NPs), as well as Fe- and Co-doped MgO-NPs, were synthesized using a gelatin-based sol–gel method. The structure and morphology of the prepared samples were examined using X-ray diffraction (XRD) and transmission electron microscopy (TEM), respectively. The results indicated that pure and doped MgO-NPs, with particle sizes below 100 nm, crystallized in cubic structures. XRD data were analyzed using the size-strain plot (SSP) method, revealing that doping increased the lattice strain to 0.11 for pure MgO, 0.18 for Co-doped, and 0.13 for Fe-doped MgO nanoparticles. The crystallite sizes were found to be 60 nm for pure MgO, 48 nm for Co-doped, and 60 nm for Fe-doped MgO nanoparticles. X-ray photoelectron spectroscopy (XPS) was used to investigate the oxidation states of the prepared samples. The Fe-doped MgO-NPs exhibited the highest value of oxygen vacancy states, indicating more defects compared to the other samples. The saturation magnetization (Ms) was measured to be 0.026 emu/g for pure MgO, 0.45 emu/g for Co-doped, and 0.62 emu/g for Fe-doped MgO nanoparticles.

Synthesis of nano calcium silicates from waste calcite and aragonite phases for efficient adsorptive removal of industrial organic pollutants

The present study focuses on the adsorption efficacy of solid-state synthesized calcium silicate for removing congo red dye. Three different sources were used as calcium precursors; one was calcium carbonate, and the other two were natural waste sources, aragonite (P. globosa) and calcite (Eggshells). Structural analysis and functional groups of the samples were carried out by X-ray diffractometer (XRD), and a Fourier Transform Infrared Spectrometer (FTIR). Various well-known models/equations models such as the Liner Straight Line method of Scherrer’s equation (LSLMSE), Sahadat-Scherrer Model (SSM), Monshi-Scherrer model (MSM), Williamson-Hall model (WHM), Size-Strain plot method (SSP), and Halder-Wagner Model (HWM) were applied to compute the crystallite size of the synthesized calcium silicates; the estimated crystallite size range was 8–77 nm. The adsorption efficacy of the synthesized E-CaSiO3, S-CaSiO3, and C-CaSiO3 was assessed under various provisos for eradicating Congo red dye from wastewater. Computed results revealed that the dye removal percentages were approximately 100 % at 120 min and 200 rpm for 0.2 g E-CaSiO3. The point of zero charge evaluation showed that the pH of the adsorbents during maximum dye removal was 7 and was less than the value of pHpzc. Thermodynamics studies confirmed that the adsorption process was spontaneous. The method of adsorption of dye by the adsorbent was more clearly comprehended by Langmuir, Freundlich, and Temkin adsorption isotherm. 151.28 mg/g was the maximum adsorption capacity for S- CaSiO3 depending on the Langmuir isotherm model’s linear form (R2 = 0.924).

Evaluation of structural parameters of monoclinic nanocrystalline CuO and study of sunlight-driven photocatalytic dye degradation, antimicrobial and antioxidant potential

Highly pure, crystalline and spherical-shaped Copper oxide nanoparticles (NPs) have been synthesized via facile chemical coprecipitation. Various models including the Scherrer, Monshi-Scherrer, Williamson-Hall, Size-Strain Plot and Halder-Wagner method have been applied to study the crystal structure characteristics. The lattice parameters associated with the monoclinic crystal lattice of CuO NPs were estimated to be a = 4.69 Å, b = 3.41 Å, c = 5.14 Å and β = 99.87(degree), unit cell volume V = 81.35Å3 and cell density dx = 6.49 g/cm3. The photocatalytic dye degradation proficiency at 20 mg/l CuO concentration and 120 min sunlight exposure results the order of percentage dye degradation Malachite Green (88.4%) > Crystal Violet (70.8%) > Eosin Yellow (70.2%) > Methylene Blue (54.08%) dyes. The antimicrobial activity assessment was done against the broad-spectrum pathogenic microbes unveiled the exceptional microbial controlling capability of CuO NPs. Furthermore, the antioxidant activity test demonstrated the potential free radical scavenging activity of CuO NPs with an IC50 value of 47.733 µg/ml. Highlights Synthesis of pure and spherical shaped nanocrystalline CuO was done by using low cost and facile chemical coprecipitation method. XRD, FTIR, FESEM, EDX, UV-Vis, and Raman spectroscopic techniques were used for characterization purpose. The structural and crystallographic parameters of monoclinic crystal structure of CuO NPs were evaluated successfully. The photocatalytic performance of CuO NPs follow the percentage dye degradation order as MG (88.4%) > CV (70.8%) > EY (70.20%) > MB (54.08%) after 120 minutes of sunlight exposure. CuO NPs exhibit promising antifungal activity against COVID-19 associated Pulmonary Aspergillosis (CAPA) causing pathogenic fung. CuO NPs show potential DPPH free radical scavenging activity with an IC50 value of 47.733 µg/ml.

XRD and UV–Vis studies of cellulose acetate film blended with different concentrations of nano-metal oxide

Molybdenum Trioxide nanoparticle (MoO3-NPs) was introduced to Cellulose acetate (CA) biopolymer with different concentration using casting process by dispersed MoO3-NPs [0.0, 0.25, 0.5 and 1.0 wt%]. Molecular structure of samples has been studied using XRD and UV–Vis. the data shown by X-ray results indicated the amorphous nature of the pure polymer. Some peaks are appeared as a result of the addition of MoO3-NPs which indicate that samples were partially crystallized. The crystallite size of nano-metal oxide was calculated for blended samples by Size–Strain Plot method which was found to increase with increasing the concentration of MoO3. UV–Vis results indicate that there exist two indirect energy band gaps; Onset band gap which observed to decreases from 1.3 eV for pure polymer to 0.78 eV for polymer blended with 1.0 wt% MoO3-NPs and HOMO–LOMO band gap which observed to decrease from 3.23 eV for pure polymer to 2.89 eV for polymer blended with 1.0 wt% MoO3-NPs. This indicate that the addition of nano-metal oxide improve the optical conduction of CA. Urbach energy was observed to increase with increasing MoO3-NPs from 0.27 eV for pure CA to 0.32 eV for 1.0 wt% MoO3-NPs concentration which may be occurred due to the creation localized states at the band gap as a result of the addition of MoO3-Nps.

The X-ray peak profiling, optical and dielectric properties of Ag@ZnFe2O4/rGO ternary nanocomposites: LED assisted photocatalysis and humidity sensing

Ag@ZnFe2O4/reduced graphene oxide (Ag@ZnFe2O4/rGO) ternary nanocomposites were successfully synthesized (NCs) via hydrothermal method and explored the LED assisted photocatalytic performance for the degradation of organic dyes as well as humidity sensing properties of the material. For comparison, bare ZnFe2O4, and ZnFe2O4/rGO also synthesized. The freshly prepared samples were investigated using XRD, TEM, UV–vis–NIR spectroscopy, VSM, Impedance analyzer, and particle size analyzer. The detailed structural parameters were calculated through X-ray peak profiling using Classical Scherrer, Modified Scherrer, Williumson-Hall, Halder-Wagner, Size Strain Plot methods along with Rietveld refinement. From UV–vis–DRS analysis, optical energy gaps were obtained in the range of 1.58–1.92 eV. Ag@ZnFe2O4/rGO NCs showed significant photocatalytic activity and exceptional adsorption capacities for the breakdown of methylene blue (MB) 95.7% and rhodamine B (RhB) 77.7% after 100 min. The synergistic interactions of Ag, ZnFe2O4, and rGO minimized NCs agglomeration and small particle size with higher surface area, resulting in a higher absorption in both UV and visible light. The photocatalysis mechanism was explored by scavenger test using ascorbic Acid, NaHCO3, and isopropyl alcohol. The magnetic studies revealed the paramagnetic nature of NCs. Frequency dependent dielectric data obey the modified Debye model with relaxation time of ∼10−4 s and spreading factor of 0.534 (±0.08). Complex impedance measurements support the grain-interior process that contributes to dielectric properties. The impedance-type humidity sensing characteristics of the fabricated sensor were investigated by exposing in a wide humidity range of 11–98% RH at ambient temperature. The Ag@ZnFe2O4/rGO sensor displayed an ultrahigh sensitivity when compared to traditional humidity sensors. On the basis of, Ag@ZnFe2O4/rGO NCs are exciting nanomaterials for outstanding photocatalytic activity for the degradation of organic dyes along with potent humidity sensor.

X-ray diffraction analysis of orthorhombic SnSe nanoparticles by Williamson–Hall, Halder–Wagner and Size–Strain plot methods

SnSe nanoparticles were synthesized using the sonochemical exfoliation technique, employing SnSe single crystals. Various analysis, including Energy Dispersive Analysis of X-rays-Elemental mapping, X-ray Diffraction (XRD), High-Resolution Transmission Electron Microscopy, Ultra-Violet Diffused Reflectance Spectroscopy-Photoluminescence measurements, Raman spectroscopy, and X-ray Photoelectron Spectroscopy, were conducted to determine the chemical composition, crystalline phase, morphological characteristics, optical properties, vibrational modes, and oxidation states of the synthesized nanoparticles. The XRD peak broadening analysis, specifically employing Williamson–Hall (W-H), Size–Strain Plot (SSP), and Halder–Wagner Method (H-W), was employed to examine particle size and intrinsic strain. Additionally, three models within the W-H method, namely the uniform deformation model (UDM), uniform stress deformation model (USDM), and uniform deformation energy density model (UDEDM), were used to investigate physical and microstructural parameters such as strain, stress, and energy density. A comprehensive comparison of the average particle size results obtained from Williamson–Hall, Size–Strain, and Halder–Wagner Methods, along with results from HR-TEM and Particle Size Analysis, was carried out. The comprehensive comparison of results from different techniques adds credibility to the reported findings.

A comparative study in estimating of crystallite sizes of synthesized and natural hydroxyapatites using Scherrer Method, Williamson-Hall model, Size-Strain Plot and Halder-Wagner Method

In this study, an approach was made to create hydroxyapatite (HAp) crystals on nanoscale ranges from CaCO3 and H3PO4 utilizing a wet chemical process. Both fish and cow bones were used effectively for making bone powder as the natural sources of HAp. X-ray diffraction approach proved that powdered bone and HAp were in the crystalline phase. The determination of crystallite size in synthesized HAp crystals and bone powders was investigated using a range of techniques, including Linear Straight-Line Method (LSLM), Williamson-Hall Method (WHM), Size-Strain Plot (SSP), Halder-Wagner Method (HWM), and Sahadat-Scherrer Method (SSM). We also employed different Williamson-Hall models to quantify the stress and strain of the powdered materials for all diffraction peaks, including the Uniform Deformation Model (UDM), Uniform Stress Deformation Model (USDM), and Uniform Deformation Energy Density Model (UDEDM). Williamson-Hall is regarded as the best approach out of all of them since it was used to find the energy density, lattice stress, lattice strain, and crystallite size of the formed crystal. All the results from each model were compared to check the variation of analyzed data. The obtained results confirmed that there was an interrelation between the particle sizes of the Size Strain Plot and the Williamson-Hall method.

Influence of samarium on the structural, magnetic, and gas sensing performance of cadmium zinc ferrites

Cadmium zinc ferrites Cd0.5Zn0.5SmxFe2−xO4 nanoparticles were synthesized with different concentrations x = 0.00, 0.01, 0.02, 0.04, 0.06, and 0.08, via the wet chemical co-precipitation method. The effects of the Sm3+ doping on the structural, morphological, compositional, and magnetic properties have been investigated. The structural analysis is performed using x-ray diffraction (XRD) with Rietveld refinement. The results indicate great crystallinity in the FCC Fd3m spinel structure of Cd0.5Zn0.5SmxFe2−xO4 nanoparticles. The crystallite size was estimated using Debye–Scherrer, Williamson–Hall, Size-strain plot (SSP), and Halder-Wagner (H-W) methods. It revealed a decreasing trend with the increase of Sm-doping concentrations until the solubility limit at around x = 0.04. The spherical morphology of the samples was investigated using transmission electron microscopy (TEM) with minor agglomeration as a benefit of using the capping agent polyvinylpyrrolidone (PVP). Raman spectroscopy validates the incorporation of trivalent Sm3+ in the octahedral sites. X-ray photoelectron spectroscopy (XPS) verified the elemental compositions as well as the purity of the samples and the incorporation of the dopants. A vibrating sample magnetometer (VSM) was used to study the magnetic properties, and which indicates the superparamagnetic behavior of the prepared samples. The prepared samples were tested as liquefied petroleum gas (LPG) sensors by studying their sensitivity, optimum working temperature, response time, and recovery time. The doping of samarium ions reveals a great increase in LPG sensing sensitivity and optimum temperature with decreasing response and recovery times.

Synthesis of nano-crystallite hydroxyapatites in different media and a comparative study for estimation of crystallite size using Scherrer method, Halder-Wagner method size-strain plot, and Williamson-Hall model

Hydroxyapatite (HAp) [Ca10(PO4)6(OH)2] is remarkably similar to the hard tissue of the human body and the uses of this material in various fields in addition to the medical sector are increasing day by day. In this research, mustered oil, soybean oil, as well as coconut oil were employed as liquid media for synthesizing nanocrystalline HAp using a wet chemical precipitation approach. The X-ray diffraction (XRD) study verified the crystalline phase of the HAp in all the indicated media and discovered similarities with the standard database. Several prominent models such as the Scherrer's Method (SM), Halder-Wagner Method (HWM), linear straight-line method (LSLM), Williamson-Hall Method (W-M), Monshi Scherrer Method (MSM), Size-Strain Plot Method (SSPM), Sahadat-Scherrer Method (S–S) were applied for the determination of crystallite size. The stress, strain, and energy density were also computed from the above models. All the models, without the Linear straight-line technique of Scherrer's equation, resulted in an appropriate value of crystallite size for synthesized products. The calculated crystallite sizes were 6.5 nm for HAp in master oil using Halder-Wagner Method, and 143 nm for HAp in coconut oil using the Scherrer equation which were the lowest and the largest, respectively.

Effect of Co/Nd co-doping on the structural, optical, and morphological properties of ZnO nanorods grown on silicon substrate Si (100) by hydrothermal method

In this study, single-doped (cobalt (Co), neodymium (Nd)), and co-doped (Co/Nd) ZnO thin films were fabricated through the hydrothermal method on a silicon substrate (100) and investigated structural, morphological, and optical characteristics. In this work, tunable bandgap engineering of single-phase Co/Nd co-doped ZnO nanorods was reported to be controlled through variation of dopant concentrations. The concentration of neodymium varies as 4, 8, and 12 % by weight, while cobalt is fixed up to 4 %. XRD confirms the phase purity and high crystalline nature of the prepared nanorods. The physical structural parameters such as-fabricated nanorods were investigated in detail. Furthermore, Scherrer, Williamson-Hall (W–H), and size-strain plot (SSP) methods were used to investigate the crystallite size and lattice strain. The optical parameters like absorbance (A), transmittance (%T), energy bandgap (Eg), skin depth (δ), optical density (Dopt), optical conductivity (σopt), Urbach energy (Eu), and extinction coefficient (k), were investigated by UV–vis spectra. This study shows that grown films are suitable for modern optoelectronic applications.

Synthesis and mechanistic approach to investigate crystallite size of NbSe2 nanoparticles

Niobium diselenide (NbSe2) belongs to the class of transition metal dichalcogenides (TMDCs) and exhibits peculiar features such as charge density waves, superconductivity, and periodic crystal lattice distortion. The main focus of the article is the synthesis and characterisation of NbSe2 NPs utilising the wet chemical precursor solution route at room temperature, followed by in-depth x-ray diffraction (XRD) characterisation and analysis using the aforementioned techniques. The EDS result demonstrated that the NbSe2 NPs are devoid of impurities and close to stoichiometry. The sample has a crystalline hexagonal structure with the lattice constants a = b = 3.443Å, c = 12.576 Å, and α = β = 90°, γ = 120°, according to the XRD results. The work emphasises the need of comprehending how lattice strain and crystallite size affect physical attributes. x-ray peak broadening was used to study the epitaxial crystallisation of NbSe2 NPs. Various methods for determining crystallite size, such as the Williamson–Hall (W-H) method, Debye–Scherrer plots, uniform deformation model (UDM), uniform stress deformation model (USDM), uniform deformation energy density model (UDEDM), size strain plot (SSP) method, and Halder-Wagner (H-W) method, are employed to comprehensively analyse the nanoparticle characteristics, and additionally, high-resolution transmission electron microscopy (HRTEM) is employed to visualise the morphology and particle size distribution of the synthesised NbSe2 NPs. Physical parameters, including lattice stress, strain, and energy density, are also evaluated more precisely from the XRD pattern reflection peaks. The outcomes shed light on the interplay between crystallite size, lattice strain, and their effects on the material’s properties and showed excellent intercorrelation of the average crystallite sizes as estimated by employing various methods.

Different solvents and organic modifiers for the control of crystallographic parameters in nano-crystallite hydroxyapatite for amplification of photocatalytic activity.

In this research, HAp nanocrystals were synthesized using conventional wet chemical precipitation methods using various organic modifiers, including urea, palmitic acid, and naphthalene. Ethanol and isopropyl alcohol (IPA) were used as solvents in this process. Different characterization techniques, namely X-ray diffraction (XRD), scanning electron microscopy (SEM), and UV-vis absorption spectroscopy, were employed to ascertain the formation of HAp nanocrystals. Numerous structural parameters, including lattice parameters, unit cell size, volume of the unit cell, specific surface area, degree of crystallinity, dislocation density, macrostrain, and crystallinity index, were assessed using XRD data. The linear straight-line method of Scherrer's equation, Monshi-Scherrer's method, the Williamson-Hall method, the size-strain plot method, the Halder-Wagner method, and Sahadat-Scherrer's model were applied to compute the crystallite size of the synthesized HAp samples. All the synthesized HAp has crystalline structures within the permissible range of 1-150 nm which were estimated from the XRD data using the mentioned models. However, the values for strain (from -3 × 10-4 to 6.4 × 10-3), strain (from -9.599 × 104 to 7 × 1010 N m-2), and energy density (from -11 × 1011 to 2 × 107 J m-3) were also calculated for the synthesized samples. In addition, the optical band gap energy of the synthesized HAp was computed (5.89 to 6.19 eV). The synthesis media have a control on the crystallographic planes, e.g. in the case of the ethanol medium, the (110) plane exhibited significant intensity (which could potentially serve as a driving force for enhancing photocatalytic activity). The use of 100% ethanol HAp yields the most favorable outcome regarding both the degradation percentage (91.79%) and degradation capacity (7%) for the Congo red dye.

Green synthesis of Ag2O & facile synthesis of ZnO and characterization using FTIR, bandgap energy & XRD (Scherrer equation, Williamson-Hall, size-train plot, Monshi- Scherrer model)

A typical study has been performed for synthesizing Ag2O and ZnO nanoparticles. In our case, aloe vera extract was used as a reducing agent for synthesizing Ag2O. This green synthesis of silver oxide used silver nitrate (AgNO3) as a precursor material. On the other hand, the direct precipitation method was used for synthesizing zinc oxide nanoparticles, in which the precursor materials used were zinc nitrate hexahydrate (Zn(NO3)2·6H2O) and potassium hydroxide (KOH). Afterward, the characterization of these synthesized nanoparticles was done by the X-ray diffraction (XRD) method. Then, the crystal size, lattice strain, stress, and energy density of synthesized ZnO and Ag2O were determined by using XRD peak profile analysis. Among the various available models for determining these microstructural parameters, we explored the Scherrer model, the linear straight-line method of the Scherrer equation, the Monshi-Scherrer model, the Sahadat-Scherrer model, the Williamson-Hall model (including the uniform deformation model, the uniform stress deformation model, the uniform deformation energy density model), the size-strain plot method, the Halder-Wagner model, etc. By employing the crystal size values from these models, the accuracy and validity of crystals were also performed. The synthesized products were also characterized by the exploration of functional groups (by FTIR) and optical band gaps (by UV technique).

Study of structural, luminescence and Judd-Ofelt calculations for Ce3+ doped ZnS phosphors for display applications

This paper discusses the luminescence properties of novel Zn(1-x)S: xCe3+ (x = 0, 0.01, 0.02, 0.03, 0.1, 0.2 and 0.3) prepared via conventional solid-state reaction method at low temperature. The XRD results revealed that all synthesized phosphors have hexagonal structure. The strain was calculated using size-strain plot (SSP) method. The FTIR study identifies the various vibrational modes present in the synthesized phosphors. The structural and luminescence characteristics of the prepared samples were enhanced by Ce3+ substitution. The optical band gap energies were found to be decreasing with Ce3+ substitution. The optimal Ce3+ content for superior blue emission is found to be x = 10 mol %. The blue emission supports the incorporation of Ce3+ ions within the ZnS lattice, which is again confirmed by Ω2, Judd-Ofelt intensity parameter. The high value of Ω2 indicates the symmetry of site occupies of Ce3+ ions are lower. The obtained critical distance of energy transfer between Ce3+ ions is calculated to be 6.3095 Å, which implies that the exchange interaction mechanism is a multipolar exchange. The high efficiency, branching ratio, stimulated cross section and the optical parameters indicate that the prepared phosphor materials have efficient blue light emission for display applications.

Facile fabrication and grain-size depended on structural behavior of Cadmium-Substituted nano Co-Ni ferrites by chemical method

In this work, cadmium doped cobalt nickel ferrites were fabricated via co-precipitation method by using high purity chlorides as precursors and ammonia as precipitate. XRD measurements of synthesized Co0.6Ni0.4-xCdxFe2O4 ferrite samples revealed that the formation of mono phase cubic spinel structure ferrite nanoparticles. The volume of unit cell, crystallite size, lattice constant, bond length, hopping length, ionic radii and microstrain were directly affected by the inclusion of Cd2+ content in Co-Ni ferrite. The crystallite size (Dxrd) of prepared ferrite samples was obtained in between 14.52 and 16.92 nm. FTIR spectra showed two main absorption bands in the frequency range of 400–600 cm−1 arising due to stretching vibrations of tetrahedral (A) and octahedral (B) sites respectively. SEM analysis showed agglomerated morphology of ferrite nanoparticles with grain size decreased from 0.85 to 0.21 μm. Raman spectroscopy confirmed that, on addition of Cd2+content, Raman band was shifted towards higher wave number side. The crystallite development in Cd doped Co-Ni ferrites was explored by X-ray peak broadening methods such as Scherer’s formula, Size-Strain plot and Williamson hall methods. XRD analysis confirmed, the crystallite size and microstrain of Co0.6Ni0.4-xCdxFe2O4 ferrites were obtained from various methods, are highly inter correlated. Saturation magnetization (Ms) was decreased from 29.92 to 23.40 emu/gm with increase of Cd doping. The coercivity was reduced from 1113 to 708 Oe with Cd concentration. This is due to the magnetic anisotropy constant of Ni2+ ion is higher than that of the Cd2+ ion.