X-ray Diffraction Patterns Research Articles

Investigation of Structural, Elastic and Magnetic Properties of CoCr2−xZrxO4 Nanoparticles

This study investigates the impact of zirconium substitution on the structural, elastic and magnetic properties of CoCr2O4 nanoparticles. A series of CoCr2−xZrxO4 nanoparticles, x = 0.00, 0.05, 0.10, 0.15 and 0.20, are synthesized via the co-precipitation method. X-ray diffraction (XRD) patterns affirm the formation of single-phase cubic structure with the space group Fd3m. Special attention is given to accurately calculating the average crystallite size (D) and lattice parameter (a) using Williamson–Hall (W–H) analysis and the Nelson–Riley (N–R) extrapolation function, respectively. The increase in Zr4+ content leads to a reduction in crystallite size and an increase in the lattice parameter. Elastic properties are estimated from force constants and the lattice constant, determined from FTIR and XRD, respectively. The observed changes in the elastic constants are attributed to the strength of interatomic bonding. The stiffness constants decrease, while Poisson’s ratio increases with increasing Zr4+ content, reflecting the increase in the ductility of the prepared samples. As the Zr4+ content increases, the stiffness constants decrease, and Poisson’s ratio increases, reflecting enhanced ductility of the samples. Furthermore, as Zr4+ content rises, Young’s modulus, the rigidity modulus and Debye temperature decrease. The magnetic hysteresis loop measurements are carried out at room temperature using a vibrating sample magnetometer (VSM) over a field range of 25 kg. Unsubstituted CoCr2O4 exhibits ferrimagnetic behavior. As Zr4+ content increases, saturation magnetization (Ms) and magnetic moment decrease, while remanent magnetization (Mr) and coercivity (Hc) initially decrease up to x = 0.10, then increase with further increases in x. The novel key of this study is how Zr4+ substitution in CoCr2O4 nanoparticles can effectively modify their elastic moduli and magnetic properties, making them suitable for various applications such as flexible electronics, protective coatings, energy storage components and biomedical implants.

Synthesis of biocompatible hydroxyapatite from quail eggshell, oyster shell, and periwinkle snail shell

This study focuses on the synthesis of hydroxyapatite (HA, Ca10(PO4)6(OH)2) from calcium carbonate (CaCO3)-rich quail eggshells, oyster shells, and periwinkle snail shells (Filopaludina bengalensis) through the use of the wet precipitation method. The methodology involved calcining the shell waste to convert CaCO3 to calcium oxide (CaO), undergoing hydration, and reacting with phosphoric acid (H3PO4) to synthesize HA. The results indicated that periwinkle snail shells had the highest percent yield of HA at 92.12%, followed closely by quail eggshells at 92.01%, and oyster shells at 73.65%. For producing CaO, oyster shells provided the highest percent yield of CaO at 103.72%, followed by quail eggshells at 98.6% and periwinkle snail shells at 92.09%. The synthesized HA exhibited high biocompatibility, which is crucial for its potential applications in medical fields such as bone replacement and regeneration. The X-ray diffraction (XRD) analysis confirmed the successful synthesis of high-quality HA, with characteristic peaks indicative of excellent crystallinity and purity and near identicality to the standard XRD pattern of HA of ICDD 9-432 and the XRD pattern of successfully synthesized HA in other studies, indicating high biocompatibility. The research highlights the potential of recycling food waste, specifically shell waste, into valuable biomaterials. This not only addresses environmental concerns but also supports sustainable practices in the food industry. Moreover, the study contributes to advancements in biomaterials for medical applications, emphasizing the viability of utilizing organic waste for high-value products. By transforming food waste into useful medical materials, this research offers promising solutions for waste management and resource utilization, particularly within Thailand's ecological and industrial framework.

Q-switched Nd: YAG Fundamental and Second Harmonic Wavelengths Impact on Preparing Nb2O5 Thin Films by a PLD Technique: A Comparative study

We aim to study and investigate the structural, optical, topographical, and morphological properties of Nb2O5 thin films deposited under vacuum Q-switched Nd: YAG pulsed laser for the first time to the best of our knowledge. The obtained results of this study can contribute in different fields of applications including the optoelectronic and biomedical fields. The fundamental (1064 nm) and the visible second harmonic (532 nm) wavelengths were utilized for this purpose. The laser energy was fixed at 657 mJ. The number of pulses and the substrate temperatures were 200 laser shots and 450 ºC, respectively. The observed X-ray diffraction patterns were assigned for T-Nb2O5 that refers to the orthorhombic and H-Nb2O5 which is related to the monoclinic phases supported by Raman spectra analyses. Nb2O5 thin film deposited by Nd: YAG fundamental wavelength (1064 nm) showed a thicker film, a higher surface roughness and, on average, a larger particles size It also provided better matching of the lattice d-spacing with the standard d-spacing obtained by JPCDs cards 00-030-0873 and 00-009-0372. The optical properties including the band gap values for both direct and indirect transitions were estimated with the lower gap was reported for the thin film prepared at the fundamental wavelength. The photoluminescence analyses supported that the transitions of both prepared films were indirect. FE-SEM clarified the surface morphology of each prepared film. The EDX analyses provided the elemental compositions and the purity of the Nb2O5 prepared films.

Analytical insight into caffeine extraction from typica coffee leaves based on crystallinity enhancement, optical phonon vibration upshift, and morphological evolution.

Caffeine extracted from callus cultures by in vitro technique induced from typica coffee (Coffea arabica L. var. typica) leaves was successfully carried out by a simple Soxhlet method. Analysis of X-ray diffraction patterns showed an increase in crystallinity fraction from leaves (13.56%) to callus (14.46%) and then to caffeine (39.18%). Crystallite size also varied, with average sizes of 18±6, 69±51, and 32.5±17 nm for leaves, callus, and caffeine, respectively. Fourier transmission infrared absorption data confirmed the presence of hydroxyl (OH) groups bound to carbon (C─COH), indicating caffeine content. The high stability of the C─COH is indicated by the broad optical phonon vibrations of the leaves: 247cm-1 to caffeine: 963cm-1. Quantitative analysis of dielectric function and electron loss function intensity peaks of each sample showed that leaves efficiently capture and store light energy while caffeine has less potency. Scanning electron microscopy analysis showed irregular shapes of leaves, oval round shapes for callus, and rectangular crystals for caffeine due to crystal orientation during transformation and had a strong correlation with crystallinity fraction. Finally, the structure-based identification, chemistry, optical-dielectric function, and micro-surface properties have been fully studied, thus unmasking the phenomenon of slow transformation from leaves to caffeine form. PRACTICAL APPLICATION: The result of this study can be applied to uncover new methodologies related to the classification, and biotechnological utilization of callus culture based on structural properties, optical-dielectric function, and micro-surface analysis. Methodologically, the resulting callus culture provides a sustainable and controllable supply of plant material for caffeine extraction, thereby reducing traditional methods involving field-grown plants and avoiding the use of pesticides.

Influence of Y Substitutions on the Structural and Magnetic Properties of Mn-Zn Ferrites

The ordinary solid-state reaction method has been used to produce polycrystalline Mn0.5Zn0.5Fe2–xYxO4. X-ray diffraction (XRD) and scanning electron microscopy (SEM) have been used to study the structural and surface morphology of the samples, respectively. The formation of cubic spinel crystal structure is observed in XRD patterns. The Nelson-Riley function is used to determine the lattice parameters. Vegard's rule is followed by the lattice parameter change with Y content in different Mn0.5Zn0.5Fe2–xYxO4. The x-ray density, and the bulk density both increase with Y content due to the higher atomic weight of Y compared to atomic weight of Fe, as well as porosity decreases. SEM micrographs demonstrate that the average grain size decreases with the increase of Y contents. When x = 0.05, the initial permeability shows maximum then starts to decrease for further increase of Y content. For the composition Mn0.5Zn0.5Fe1.95Y0.05O4, the relative quality factor (RQF) is found maximum (3477). With the increase of Y content, the peak value of the relative quality factor shifts to higher frequencies region which is the consequence of Snoek relation. Jagannath University Journal of Science, Volume 11, Number 1, June 2024, pp. 53−63

Stability Assessment Through Dynamic Light Scattering and Rheological Study of Hexanoic Acid-Surface-Modified Cerium Oxide Nanoparticles in Cyclohexane at Low Concentration

The stability of 1wt% cerium oxide (CeO2) nanoparticles in cyclohexane is assessed in this paper. To do so, first, n-hexanoic acid (C6-) surface-modified CeO2 nanoparticles were synthesized by heating the aqueous Ce(OH)4 suspension at 400 °C and characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), high regulation transmission electron microscopy (HRTEM), Fourier transform infrared (FTIR) spectroscopy and thermogravimetric analysis (TGA). XRD pattern indicated the crystalline structure and TEM showed the cubic shape of the synthesized CeO2 nanoparticles with an average size of 4.5 nm. Next, 1 wt% CeO2–cyclohexane dispersion (nanofluids) was prepared simply by dispersing the required amounts of CeO2 nanoparticles in cyclohexane. Finally, the stability of CeO2–cyclohexane was assessed by dynamic light scattering (DLS) and rheological study. DLS measurement revealed that the 1wt% CeO2–cyclohexane nanofluid has good dispersibility with a small DLS diameter (~6 nm) comparable to that of the pristine particle diameter measured by TEM. Also, the rheology study depicted the Newtonian behavior of prepared nanofluids which indicated its excellent stability. Jagannath University Journal of Science, Volume 11, Number 1, June 2024, pp. 23−30

Role of ionic nature of surfactants on zinc stannate nanostructure and their application towards supercapacitors

This work demonstrates the role of cationic, anionic, and non-ionic surfactants [ethylene diamine (EDA), sodium lauryl sulfate (SLS), and triton X100 (TX100)] in synthesizing the phase pure zinc stannate (ZTO) nanostructures via hydrothermal technique. The X-ray diffraction (XRD) pattern reveals that EDA is a suitable surfactant for fabricating high crystalline ZTO nanostructures. The nature of surfactants alters the size and shape of the ZTO nanostructures, as evidenced by the FESEM micrographs. Specifically, hemi-pyramid embedded with fine spherical particles (EDA-assisted) and sphere-like particles (non and other surfactants) morphological features are observed. Their energy storage performance is evaluated through a three-electrode system. EDA-assisted ZTO delivered the specific capacitance value of 31 F/g at 1 A/g current density, slightly higher than that of the non-surfactant ZTO (27 F/g @ 1 A/g) electrode. Furthermore, the role of calcination is investigated, and it was found that the specific capacitance value is increased to 77 F/g (from 31 F/g) for the EDA-ZTO sample calcined at 600 °C for 3 h in an ambient atmosphere.Graphical abstract

Electric arc synthesis of titanium carbide using carbon obtained from thermal conversion of waste from the power industry

The work presents for the first time the results of obtaining titanium carbide using a vacuum-free electric arc method using various types of biocarbon obtained by classical pyrolysis of biomass waste, such as tangerine peel, pomelo peel, banana peel, pine nut shells, walnut shells. Analysis of X-ray diffraction patterns of the synthesized materials showed the repeatability of the experiment with the receipt of diffraction maxima indicating the formation of a cubic structure of titanium carbide. An analysis of the thermal oxidation of the resulting powders showed that up to a thousand degrees the process proceeds quite slowly, but with increasing temperature the oxidation rate increases significantly. It has been established that during thermal heating in an oxidizing environment, the mass of the studied titanium carbide powders obtained using various types of carbon increases, which is confirmed by thermogravimetric analysis.

Expediting the bioactivity of zinc sulfide nanoparticles with copper oxide as a nanocomposite

The regulatory role of zinc in bone formation extends to the activation of proteins associated with bone homeostasis. Furthermore, copper is well known for its antibacterial properties. This dual function underscores the significance of zinc and copper in maintaining a balance of bone structure and function. In light of the aforementioned, zinc sulphide/copper oxide nanocomposites were created in this instance using a straightforward coprecipitation technique. Copper oxide was used as a nanocomposite to improve the structural, morphological, and biological performance of zinc sulphide nanoparticles. The X-ray diffraction pattern confirmed a transformation in the crystal structure from cubic to rhombohedral, along with increase in intensity. Fourier transforms infrared analysis indicated the presence of functional groups. Scanning electron microscopy images demonstrated a morphological shift from non-uniform to distinct spherical nanoparticles, impacting the enhancement of material properties. The pathogenic activity of the zinc sulphide/copper oxide nanocomposites was tested against nine bacterial strains. In antimicrobial testing, zinc sulphide/copper oxide nanocomposites showed promising results, particularly against Klebsiella pneumoniae (zone of inhibition: 14 mm at 100 µg/mL compared to 7 mm by standard) and Escherichia coli (zone of inhibition: 11 mm at 100 µg/mL compared to 10 mm by standard) after 24 h with zone of inhibition matching or exceeding that of the standard (chloramphenicol). Zinc sulphide nanoparticles and zinc sulphide/copper oxide nanocomposites were evaluated for their antifungal activity against fungal stains from Trichophyton rubrum, Aspergillus niger, and Aspergillus flavus. After a 24-h period, it was discovered that zinc sulphide/copper oxide nanocomposites were effective against Aspergillus flavus (zone of inhibition: 19.4 mm at 100 µg/mL compared to 6.3 mm by standard) at all concentrations (25–100 mg/mL), with zones of inhibition identical to or greater than those of the standard (fluconazole). Certainly, based on these results, zinc sulphide/copper oxide nanocomposites could be promising materials for drug delivery.Clinical trial registration: Not applicable.

Unraveling Oxygen Vacancies Effect on Chemical Composition, Electronic Structure and Optical Properties of Eu Doped SnO2.

The influence of Eu doping (0.5, 1 and 2 mol.%) and annealing in an oxygen-deficient atmosphere on the structure and optical properties of SnO2 nanoparticles were investigated in relation to electronic structure. The X-ray diffraction (XRD) patterns revealed single-phase tetragonal rutile structure for both synthesized and annealed Eu-doped SnO2 samples, except for the annealed sample with 2 mol.% Eu. The results of X-ray photoelectron spectroscopy (XPS) emphasized that europium incorporated into the SnO2 host lattice with an oxidation state of 3+, which was accompanied by the formation of oxygen vacancies under cation substitution of tetravalent Sn. Moreover, XPS spectra showed the O/Sn ratio, which has been reduced under annealing for creating additional oxygen vacancies. The pulse cathodoluminescence (PCL) demonstrated the concentration dependence of Eu site symmetry. Combination of XRD, XPS and PCL revealed that Eu doping and following annealing induce strongly disordering of the SnO2 crystal lattice. Our findings provide new insight into the interaction of rare-earth metals (Eu) with host SnO2 matrix and new evidence for the importance of oxygen vacancies for optical and electronic structure formation.

Enhanced sensitivity and selectivity of ZnSe/PANI nanocomposite for Low-ppm NO2 detection at room temperature gas sensor application

The utilization of n-p composite-based gas sensors has garnered substantial interest within the field of gas sensing. This heightened attention can be attributed to the remarkable band alignment of the constituent materials which results in superior charge transfer rate, increased gas interaction sites and reduced optimum operating temperature. In this work, n-ZnSe/p-PANI composites were prepared by simple hydrothermal technique. The obtained X-ray diffraction pattern confirms the phase formation ZnSe, PANI and ZnSe/PANI composites. The pure ZnSe exhibits a sensing performance at a higher operating temperature of 100 °C, whereas ZnSe/PANI composite sample demonstrates an improved sensing response at 30 °C. Notably, the 20 wt.% composite sample (ZnSe–P2) achieved a maximum sensing response of 77 % towards 20 ppm of NO2 gas molecule. Additionally, the sensor exhibits the response time (Tres) of 112 s and recovery time (Trec) of 648 s, at an operating temperature of 30 °C. It also shows better stability, reproducibility and specific selectivity towards NO2 gas molecule. The superior sensing behavior of the ZnSe-P2 sensor can be ascribed to the development of a depletion region in the interface of ZnSe/PANI composites, which improved the charge transfer rate and increased the number of reactive sites. Therefore, the formation of n-p inorganic-organic composite strategy offers an effective approach for detecting NO2 gas molecules at lower temperature of 30 °C.

LSTM-based framework for predicting point defect percentage in semiconductor materials using simulated XRD patterns

In this paper, we present a machine learning-based approach that leverages Long Short-Term Memory (LSTM) networks combined with a sliding window technique for feature extraction, aimed at accurately predicting point defect percentages in semiconductor materials based on simulated X-ray Diffraction (XRD) data. The model was initially trained on silicon-simulated XRD data with defect percentages ranging from 1 to 5%, enabling it to predict defect percentages from 0 to 10% in silicon and other semiconductor materials, including AlAs, CdS, GaAs, Ge, and ZnS. Through extensive experimentation, we explored different sequence lengths and LSTM units, identifying the optimal configuration as a sequence length of 3501 and 4500 units, which yielded the best results. The model’s mean absolute error at 4500 units was 0.021, the lowest among the LSTM configurations tested. The sliding window technique plays a crucial role in capturing temporal dependencies within the XRD data, allowing the model to generalize to other semiconductor materials. Additionally, we observed that increasing defect percentages consistently led to a rise in background intensity. We further examined the relationship between crystal structure and defect precentage predictions, uncovering consistent trends for materials with Diamond Cubic and Zinc Blende structures. This LSTM-based method offers a novel approach to predicting defect percentages using simulated XRD patterns of materials.

Structural, Optical, and Magnetic Properties of Brownmillerite KBiFe2O5 and KBiFe1.95Ti0.05O5+ via Reactive Templated Method.

Brownmillerite KBiFe2O5 (KBFO) and KbiFe1.95Ti0.05O5+ (KBFTO) ceramics were synthesized using the prereacted nanopowders of KFeO2 (KFO) and BiFeO3 (BFO), and KFO and BiFe0.95Ti0.05O3+ (BFTO), respectively, via the reactive templated method. The powder X-ray diffraction patterns confirmed the monoclinic phase of the KBFO and KBFTO samples. The incorporation of Ti4+ at Fe3+ site prevented the formation of a secondary phase (Bi2Fe4O9) in the KBFTO sample. Our experimentally determined lattice parameters for the orthorhombic P2/c KBFO and KBFTO are consistent with our density functional theory (DFT) computed lattice parameters (within a 5% error). Scanning electron microscopy images revealed an average grain size of ∼1.38 and 0.85 μm for KBFO and KBFTO, respectively. The calculated optical band gaps of the KBFO and KBFTO using the Kubelka-Munk function from their UV data were found to be 1.69 and 1.71 eV, respectively. The measured surface area of KBFTO (1.339 m2 g-1) obtained from BET analysis was double that of KBFO (0.698 m2 g-1). KBFTO's room-temperature magnetization was 0.986 emu g-1, which was twice that of the KBFO, while its room-temperature conductivity measured using impedance spectroscopy was 5.69 × 10-3 S m-1 which was 10 times that of KBFO. Notably, our DFT calculations showed that the small Ti dopant concentration enhanced the partial density of states (PDOS) above the Fermi level. It shifted the Fermi level toward higher energy, and the oxygen PDOS for KBFTO was significantly enhanced relative to KBFO, which ultimately helped improve the conductivity.

Advanced Nuclear Magnetic Resonance, Fourier Transform–Infrared, Visible-NearInfrared and X-ray Diffraction Methods Used for Characterization of Organo-Mineral Fertilizers Based on Biosolids

Biosolids from stabilized sludge present a high fertilization potential, due to their rich content of nutrients and organic matter. The intrinsic and subtle properties of such fertilizers may greatly influence the fertilization efficiency. In this sense, the utility, advantages and limitations of advanced characterization methods, for the investigation of structural and dynamic properties at the microscopic scale of slightly different formulations of fertilizers were assessed. For that, three formulas of organo-mineral fertilizers based on biosolids (V1, V2 and V3), having at least 2% N, 2% P2O5, and 2% K2O, were characterized by advanced methods, such as 1H NMR relaxometry, 1H MAS and 13C CP-MAS NMR spectroscopy, 1H double-quantum NMR and FT-IR spectroscopy. Advanced structural characterization was performed using SEM, EDX and X-ray diffraction. Four dynamical components were identified in the NMR T2 distribution showing that the rigid component has a percentage larger than 90%, which explains the broad band of NMR spectra confirmed by the distributions of many components in residual dipolar coupling as were revealed by 1H DQ-NMR measurements. SEM and EDX measurements helped the identification of components from crystalline-like X-ray diffraction patterns. To evaluate the release properties of organo-mineral fertilizers, dynamic measurements of classical electric conductivity and pH were performed by placing 0.25 g of the formulas (V1, V2 and V3) in 200 mL of distilled water. The content of N and P were quantified using specific reactants, combined with VIS-nearIR spectroscopy. Two release mechanisms were observed and characterized. It was found that V3 presents the smallest release velocity but releases the largest number of fertilizers.

Magnetic properties and linear negative magnetocapacitance in rutile like LiFe2SbO6

Abstract We report the high-temperature magnetic ordering and the observation of linear negative magnetocapacitance mediated by a low-temperature magnetic phase crossover in the compound LiFe2SbO6. The combined observations of the absence of a second harmonic generation (SHG) signal, and Rietveld refinements of X-ray and neutron powder diffraction (NPD) patterns of the sample confirm that LiFe2SbO6 crystalizes in a centrosymmetric Pnnm structure. The DC magnetization measurements reveal that an antiferromagnetic ordering sets in at high temperature (TN= 850). The magnetic anomaly in the DC magnetization at a lower temperature T = 13 K, is corroborated by AC susceptibility and the specific heat measurements. We observe a linear negative magnetocapacitance below T = 13 K, demonstrating an indirect magneto-dielectric coupling. Further, the neutron powder diffraction study reveals a collinear antiferromagnetic ordering with a wavevector k = (0, 0, 0).

Beneficiation of High Sulfur Tertiary Coal of Assam with Burkholderia sp. GR 8-02. An Eco-Friendly Approach Toward Clean Coal Production

The high sulfur content in North-East Indian coal is one of the primary challenges with using it as an energy source. Therefore, the present study uses Burkholderia sp. GR 8-02 to explore coal beneficiation from the Tipong mine (T20 and T60) in Assam (North-East India). Various particle size fractions (−125 to +210 µm, −210 to +250 µm, −250 to +297 µm, −297 to +400 µm and −400 to +500 µm) were treated and subjected to petrographic and chemical analysis, X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), Scanning Electron Microscope-Energy Dispersive Spectroscopy (SEM-EDS), Thermogravimetric analysis (TGA), and Raman spectral analysis. The results revealed a 39.04% and 32.43% reduction in total sulfur for T20 and T60 samples, respectively. The ash content decreased by 19.79% in the T20 coal sample and by 24.52% in the T60 coal samples, with a relative decrease in the mineral matter content of approximately 17.43%. Following beneficiation with Burkholderia sp. GR 8-02, the −125 to +250 µm coal fraction exhibited maximum ash removal. The T20 sample useful heating value increased from 8116 to 8203 kcal/kg and the T60 sample from 8060 to 8210 kcal/kg. X-ray diffraction and FTIR patterns showed mineral phases like quartz, kaolinite, and pyrite. The FTIR spectra indicated altered C-S, SO2, and C=O bonds. The thermal profile showed a 12.54% mass loss difference between untreated and treated coal samples, suggesting lower thermal stability post-treatment without affecting the useful heating value (UHV). The treated coal’s surface leaching and morphological structure changes were investigated using Scanning Electron Microscope-Energy Dispersive Spectroscopy (SEM-EDS) images. Raman analysis revealed increased carbon crystallinity and molecular structure in treated coal. This study offers an environmentally friendly and efficient approach to clean coal production.

Characterization of three-dimensional printed hydroxyapatite/collagen composite slurry

Nowadays, biomaterial composites for bone tissue engineering are developing rapidly. Many research studies have been done on hydroxyapatite (HA) and collagen because these materials are biomimetic and can be used in human bones. This study aimed to characterize a three-dimensional (3D) printed hydroxyapatite/collagen composite slurry material with a ratio of 99.84 % (w/v) and 0.16 % (w/v). The composite material was printed using 3D printing with a print speed of 10 mm/min and a layer height of 0.5 mm. Characterization layers were investigated using a scanning electron microscope (SEM), Fourier transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), energy dispersive X-ray (EDX), and thermogravimetric analysis (TGA). SEM showed the occurrence of overlapping between layers, which was investigated by the reduction in layer dimensions after printing (layer size 432 μm). Moreover, there were no boundaries between layers; the connection between layers occurred, and porosity and the rough surface were presented. FTIR analyses showed spectrum peaks at 559.36, 628.79, 1022.27, 1562.34, and 1639.49 cm−1 which was confirmed as hydroxyapatite and amide (indicates the presence of spectrum collagen). The XRD pattern peaks show the crystallinity of HA/collagen composite (41 %) and HA (42 %). The Ca/P ratio of the material composite was 1.77. The ratio was osteoconductive, and this characteristic was the main requirement for bone grafts. From TGA, the weight loss occurred between temperatures of 25 °C and 1000 °C with three stages: water absorption (1.844 %), removal of organic content (2.854 %), and decomposition of inorganic compounds (3.517 %).

Exploring Structural and Optical Properties of Nanoparticles of Barium Titanate and Iron doped Barium Titanate and Their Potential Application in Antibacterial Activity

Background: Barium Titanate (BaTiO3) is a good candidate for a variety of applications due to its excellent dielectric, ferroelectric and piezoelectric properties. Methods: Pure and doped Barium Titanate (BTO) nanoparticles have been synthesized by the sol-gel method. Barium hydroxide octahydrate (Ba (OH)2.8H2O) and titanium (IV) iso-propoxide (Ti {OCH[CH3]2}4) were used as starting materials. Apart from pure Barium Titanate nanoparticles, Fe-doped BaTiO3 nanoparticles of three different concentrations: 0.1, 0.2 and 0.3 in mol% were prepared and characterized using X-ray diffraction (XRD), UV visible spectroscopy, Fourier Transform Infrared Spectroscopy (FTIR). Results: From the X-ray diffraction pattern, the particle size was found to be varied in a range of 17-25nm. By using UV visible spectroscopy it was observed that the band gap energy of pure BaTiO3 NP is 3.2eV. As the pure BaTiO3 nanoparticles are doped with 0.1% Fe, the band gap reduces to 3.175eV. For BaTiO3 doped with 0.2% and 0.3% Fe, the band gap energy values are 2.709 and 2.652 respectively. FTIR spectra were used to analyze the vibrational modes of BaTiO3. From the result obtained from FTIR, we can see that the absorption spectrum ranges from 450cm-1-4000cm-1. The prominent peak of pure BaTiO3 is at 500cm-1 which is due to the vibration of the Ti-O band in crystal lattice. For BaTiO3 doped with Fe2O3, the wave number of the absorption peak is shifted from 500cm-1 in pure BaTiO3. The antibacterial studies were conducted on Pseudomonas aeruginosa, Staphylococcus aureus and Escherichia coli. Conclusion: Both pure and iron-doped Barium Titanate showed significant antibacterial properties, confirming the antibacterial property of Barium Titanate nanoparticles.

Nanosized Eu3+-Doped NaY9Si6O26 Oxyapatite Phosphor: A Comprehensive Insight into Its Hydrothermal Synthesis and Structural, Morphological, Electronic, and Optical Properties.

Detailed analysis covered the optical and structural properties of Eu3+-doped NaY9Si6O26 oxyapatite phosphors, which were obtained via hydrothermal synthesis. X-ray diffraction patterns of NaY9Si6O26:xEu3+ (x = 0, 1, 5, 7, 10 mol% Eu3+) samples proved a single-phase hexagonal structure (P63/m (176) space group). Differential thermal analysis showed an exothermic peak at 995 °C attributed to the amorphous to crystalline transformation of NaY9Si6O26. Electron microscopy showed agglomerates composed of round-shaped nanoparticles ~53 nm in size. Room temperature photoluminescent emission spectra consisted of emission bands in the visible spectral region corresponding to 5D0 → 7FJ (J = 0, 1, 2, 3, 4) f-f transitions of Eu3+. Lifetime measurements showed that the Eu3+ concentration had no substantial effect on the rather long 5D0-level lifetime. The Eu3+ energy levels in the structure were determined using room-temperature excitation/emission spectra. Using the 7F1 manifold, the Nv-crystal field strength parameter was calculated to be 1442.65 cm-1. Structural, electronic, and optical properties were calculated to determine the band gap value, density of states, and index of refraction. The calculated direct band gap value was 4.665 eV (local density approximation) and 3.765 eV (general gradient approximation). Finally, the complete Judd-Ofelt analysis performed on all samples confirmed the experimental findings.

Unlocking the Electrocatalytic Behavior of Cu2MnS2 Nanoflake-Anchored rGO for the Oxygen Evolution Reaction in an Alkaline Medium.

A catalyst of the oxygen evolution reaction (OER) that is viable, affordable, and active for effective water-splitting applications is critical. A variety of electrocatalysts have been discovered to replace noble metal-based catalysts. Of these, transition metal-based sulfides are essential for incorporating carbonaceous materials to improve electrical conductivity, resulting in better electrocatalytic performance. Our study illustrates the synthesis of Cu2MnS2 (CMS) nanoflakes and their different rGO composites (10 to 40 wt %) via a hydrothermal technique for an effective water oxidation reaction. The X-ray diffraction pattern reveals that the prepared Cu2MnS2 nanoflakes exhibit a cubic crystal structure. The high-resolution scanning electron microscopy and the high resolution transmission electron microscopy images corroborate the formation of the nanoflake-like morphology of Cu2MnS2 with the strong interaction of rGO. The selected area electron diffraction analysis pattern reveals a polycrystalline nature. The Fourier transform infrared spectrum shows the existence of a metal sulfur vibrational band at 590 cm-1, and Raman analysis infers the presence of rGO. The X-ray photoelectron spectroscopy spectra reveal the oxidation states of the elements present in the samples. Using Brunauer-Emmett-Teller analysis, the surface area of CMS-20 is found to be 117.04 m2/g. The measured OER overpotentials using linear sweep volammetry and the values are 380, 370, 340, 376, and 400 mV at 10 mA/cm2 for CMS, CMS-10, CMS-20, CMS-30, and CMS-40, respectively, and the corresponding Tafel slope values are 179, 158, 149, 206, and 240 mV/decade, respectively. The electrochemical active surface area is estimated using cyclic voltammetry for all of the catalysts, where CMS-20 showed a larger surface area. Also, the same catalyst exhibits good stability for ∼24 h at a constant potential, which is confirmed via chronoamperometry. Thus, combining transition metal-based sulfides with carbonaceous materials indicates improved catalytic behavior for the preparation of high-performance OER electrocatalysts. Overall, the prepared CMS-20 performed as an efficient OER electrocatalyst and can be utilized for practical applications in energy conversion.