Crystalline Structure Research Articles

A Tape-Wrapping Strategy towards Electrochemical Fabrication of Water-Dispersible Graphene.

Graphene has achieved mass production via various preparative routes and demonstrated its uniqueness in many application fields for its intrinsically high electron mobility and thermal conductivity. However, graphene faces limitations in assembling macroscopic structures because of its hydrophobic property. Therefore, balancing high crystal quality and good aqueous dispersibility is of great importance in practical applications. Herein, we propose a tape-wrapping strategy to electrochemically fabricate water-dispersible graphene (w-Gr) with both excellent dispersibility (~4.5 mg/mL, stable over 2 months), and well-preserved crystalline structure. A large production rate (4.5 mg/min, six times faster than previous electrochemical methods), high yield (65.4% ≤5 atomic layers) and good processability are demonstrated. A mechanism investigation indicates that the rational design of anode configuration to ensure proper oxidation, deep exfoliation and unobstructed mass transfer is responsible for the high efficiency of this strategy. This simple yet efficient electrochemical method is expected to promote the scalable preparation and applications of graphene.

An R-type hexagonal ferrite nanoparticles-based electrochemical sensor for Levofloxacin detection in pharmaceutical and clinical specimens

The usage of Levofloxacin (LEV) has increased in recent years for the treatment of bacterial infections in both human and veterinary fields. In this context, there has been a significant demand for the development of a highly sensitive and cost-effective approach to LEV quantification. In this study, R-type hexagonal ferrite nanoparticles (SrSn2Fe4O11-NPs) were prepared by an auto-ignition methodology and various analytical techniques were used for the materiaĺs characterization, including X-ray diffraction (XRD), Field emission scanning electron microscopy (FE-SEM), X-ray photoelectron spectroscopy (XPS), Brunauer Emmett and Teller (BET) analysis, dynamic light scattering (DLS), and vibrating sample magnetometer (VSM) analysis. The characterization confirmed that the prepared material has a crystalline structure single-phase with a crystalline size of 35.02 nm. The R-type hexagonal ferrite nanoparticles were immobilized on a glassy carbon electrode (GCE) by a simple drop-casting approach to developing an efficient electrochemical sensor (SrSn2Fe4O11-NPs/GCE) for sensitive and selective LEV detection through an extended concentration range (0.06 × 10−6 to 170 × 10−6 M) and a low detection limit of (41.5nM). The developed sensor was applied successfully to quantitatively determine LEV in clinical samples and pharmaceutical preparations with excellent recoveries from 95.2 to 102.5 %.

Catalytic promiscuity, cytotoxicity and protein cleavage mediated by mononuclear copper(II) complexes: oxidative and hydrolytic activities

In this work, we describe the synthesis and structural and spectroscopic characterizations of two copper(II) complexes, [(Cu)(L1)(Cl2)].4H2O (1), where L1 is 2-(pyridin-2-yl)-1,3-bis(pyridin-2-ylmethyl)-hexahydropyrimidine, and [Cu(L2)](ClO4)2 (2), where L2 is N1,N1,N3-tris(pyridin-2-ylmethyl)propane-1,3-diamine. The crystalline structure analysis indicates that both complexes are mononuclear and pentacoordinated compounds. In the case of complex 1, it bears a neutral charge, with the ligand coordinating to the Cu(II) center in a tridentate manner, utilizing N-donor atoms. Additionally, two cis-chlorido ligands completing the coordination sphere. On the other hand, complex 2 is a cationic complex, with the ligand coordinated in a pentadentate manner, with only N-donor atoms for coordination around the Cu(II). Complex 1 showed catalytic promiscuity, displaying hydrolytic and oxidative activity. The hydrolytic activity was investigated using bis(2,4-dinitrophenyl) phosphate (2,4-BDNPP) as a phosphodiester substrate and applying the Michaelis–Menten approach, obtaining the following kinetic parameters: kcat = 1.21 × 10-4 s−1; KM = 3.35 × 10-3 molL-1. Complex 1 also accelerates the oxidation of the 3,5-di-tert-butylcatechol (3,5-DTBC) substrate with catalytic efficiency equal to 6.11 L mol-1s-1. Interestingly, we demonstrated that this Cu(II) complex 1 can also cleave the very stable peptide bonds from BSA (bovine serum albumin) through an oxidative mechanism using ascorbate as a reducing agent. Complexes 1 and 2 show good cytotoxic activity against two cancer cell lines: A431 from human squamous cell carcinoma and K562 from chronic myeloid leukemia. This study showed that complexes 1 and 2 are selective towards cancer cells.

Electron Microscopy for the Stability Assessment of Parenteral Nutrition Admixtures: Focus on Precipitation.

(1) Background: parenteral nutrition (PN) is indispensable for patients unable to receive oral or enteral feeding. However, the complexity of PN solutions presents challenges regarding stability and compatibility. Precipitation reactions may occur. The most frequent is the formation of calcium phosphate (Ca-P). The different factors influencing these reactions must be considered to ensure patient safety. (2) Methods: eight paediatric PN solutions were prepared, following standard protocols. Samples were stored at room temperature and in a refrigerator. Electron microscopy, coupled with energy dispersive X-ray spectroscopy (EDS), was employed. Precipitates were analysed for composition and morphology. (3) Results: precipitates were observed in all samples, even at day 0. Crystalline structures, predominantly composed of calcium or magnesium, sometimes associated with chlorine or phosphorus, were detected. Additionally, amorphous precipitates, contained heterogeneous compositions, including unexpected elements, were identified. (4) Conclusions: various precipitates, primarily calcium- or magnesium-based, can form in PN solutions, although it is not expected that they can form under the real conditions of use. Calcium oxalate precipitation has been characterised, but the use of organic calcium and phosphate salts appears to mitigate calcium phosphate precipitation. Electron microscopy provides interesting results on NP precipitation, but sample preparation may present technical limitations that affect the interpretation of the results.

High-performance self-powered UV photodetectors using SnO2 thin film by reactive magnetron sputtering

Self-powered UV photodetector (UVPD) operates without the need for an external energy source and contributes to global energy conservation. With ongoing innovation, self-powered PDs are becoming increasingly appealing for industrial and innovation applications such as advanced environmental monitoring and communication devices. This study investigates the influence of varying working pressures (ranging from 3 to 15 mTorr) during reactive magnetron sputtering on the crystalline structure, surface morphology, and performance of SnO2 thin film photodetectors, aiming to fabricate self-powered UVPDs. The SnO2-based UVPD demonstrates exceptional self-powered UV photodetection capabilities, characterized by a sensitivity of 6.41×105%, responsivity of 0.09 mA/W, and detectivity of 2.99×1010 Jones. In addition, SnO2-based UVPD possesses a switching photo response and recovery time of 0.75 and 0.99 s. Henceforth, it was observed that 8 mTorr SnO2 thin film exhibits exceptional stability, superior photodetector performance, and remarkable repeatability, rendering them highly suitable for UVPD applications. Notably, these films demonstrate sustained functionality for approximately 100 days without necessitating encapsulation. These excellent results confirm that SnO2 thin films are suitable for fabricating future smart optoelectronics devices.

Strategic decolorization of rose bengal in an aqueous environment using a zinc oxide-loaded reduced graphene oxide photocatalyst

The environmental and health hazards posed by synthetic organic dyes, such as Rose Bengal, have spurred significant concern in recent years. Herein, a novel zinc oxide/reduced graphene oxide (ZnO/rGO)-based photocatalyst is developed and used for the efficient decolorization of RB dye in aqueous solutions. The as-synthesized nanostructured material is characterized using advanced techniques such as X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDX) mapping to elucidate its crystalline structure, morphology, and elemental composition. The XRD pattern confirmed the wurtzite crystalline phase structure with an average size of 67.8 nm, while SEM imaging verified the successful incorporation of ZnO nanoparticles into the rGO matrix. Further, the as-prepared material was used as a photocatalyst, which demonstrated remarkable performance in RB dye decolorization, achieving ≥96.1 % degradation within just 5 min at a minimal catalyst dosage of 8.0 mg. Moreover, kinetic studies revealed that the decolorization process followed a pseudo-second-order reaction mechanism, further enhancing the understanding of the catalytic behavior. It is more interesting that the catalyst exhibited exceptional reusability for up to seven cycles with only a decrease in catalyst efficiency from 96.1 % to 77.5 %, underscoring its practical viability and sustainability. The significance of this work lies in its contribution to addressing the environmental challenges associated with synthetic dyes, particularly rose bengal, by offering an efficient and reliable photocatalytic solution. The demonstrated efficacy of the ZnO/rGO photocatalyst not only showcases its potential for large-scale rose bengal dye degradation but also suggests broader applicability for the treatment of other synthetic dye pollutants.

In-Situ Synthesis of CuO/TiO2 Nanocomposite Onto Amine Modified Cotton Fabric for Antibacterial Durability and UV Protection

ABSTRACT In this research work, we explore antibacterial activity and the UV-protection of cotton fabric functionalized with copper oxide-titanium dioxide nano composites particles (CuO+TiO2 NCPs). Cotton fabrics (Cot) were treated with L-methionine (Am) and functionalized with bimetallic CuO+TiO2 NCPs by pad and rolling technique. Cu(NO3)2 and titanium isopropoxide (TIP) were used as sources of Cu(OH)2 and TiO2 colloid respectively, which were then converted into CuO and TiO2 nanoparticles (NPs) for making antibacterial and UV-protective cotton. The method yielded a crystallite size of CuO and TiO2 NPs of 18.09 and 32.5 nm, respectively. FTIR, Raman spectroscopy, High-resolution scanning electron microscopy-Energy dispersive Spectroscopy (HRSEM), (EDS), X-ray photo spectroscopy (XPS), thermal gravimetric analysis (TGA), and XRD were used to analyze the functional group, morphology, chemical composition, thermal stability and crystalline structure of the functionalized cotton fabric samples. The results showed that an esterification reaction occurred between Am and OH in cotton fabric, which further enhanced the binding of NCPs. AmCot-CuO+TiO2 NCPs exhibit outstanding antibacterial activity against gram-positive S. aureus and gram-negative E. coli. The UV protection factor (UPF) for AmCot-CuO+TiO2 NCPs reached 50+; thus, multifunctional cotton fabrics with excellent antibacterial and anti-ultraviolet properties were obtained.

Crystalline-topologies engineering of bio-spore-derived hard carbon for efficient low-potential potassium ion storage

Clarifying the relationship between crystalline topologies of hard carbon and electrochemical K+ storage behaviors is essential to develop low-cost anode for K+ battery. Herein, bio-mass derived hard carbons with various crystalline topologies were synthesized for the first time by one-step pyrolysis of spores of sorghum smut fungus as new precursors. The crystalline-structures of spore-derived hard carbons including graphitic-like layer number, spacing and curvature can be effectively modulated by pyrolysis temperatures, leading to significant difference between correspondingly as-synthesized hard carbons for K+ storage. The hard carbon obtained at 1400 °C presents a unique crystalline structure with fewer graphite stacking layers down to 2, achieving the excellent K+ storage performance, in which, it presents a high capacity of 495.0 mAh/g with a significant plateau capacity of 368.9 mAh/g (< 0.5 V), a good rate performance of 175.0 mAh g-1 at 500 mA g-1 and stable cycling performance (125.0 mAh g-1 at 500 mA g-1 over 600 cycles), outperforming the most of reported hard carbons derived from various precursors. Meanwhile, the DFT calculation further clarifies that the crystalline topologies of hard carbon play a critical role for efficient K+ storage. In particular, there is an interesting discovery that the number of graphite stacking layers can significantly affect the migration and diffusion of K+, in which, the fewer the number of graphite stacking layers, the lower the energy barrier of K+ diffusion between graphite layers. These results in the work provide new insights for the understanding of K+ storage behavior in hard carbon.

Core@shell strategies to enhance green upconversion emission of LaAlO3:ErIII, YbIII nanoparticles

Seeking enhanced luminescence in upconverter nanoparticles, LAO:ErIII0.01, YbIII0.01, LAO = LaAlO3, with an average diameter of 30–40 nm, was synthesized via a modified Pechini method. Two coating strategies were employed: the first with three layers of 1 % LAO, and the second with LAO:NdIIIx at% (x = 10 or 30) or LAO:NdIIIx at%, YbIIIy at% (x, y = 30, 2 or 30, 20). Characterization included FTIR, UV–Vis diffuse reflectance, TEM, XRD, and photoluminescence. In the first strategy, undoped phase coating maintained the LaAlO3 rhombohedral crystalline structure, enhancing ErIII core emission under 980 nm laser excitation. In the second case, the shell containing YbIII (3 or 20 at%) under laser at 808 nm, favored the increase in the relative emission intensity of the activator, exciting ErIII directly in the core or via the outer NdIII sensitizer. Kinetic measurements fixing excitation at 980 nm and emission at 542.5 nm resulted in ErIII excited state decay values between 56 and 68 μs. The doped shell favored increased excited state lifetimes, exhibiting concentration quenching in the 30 % YbIII condition. Both NdIII presence and its combination with YbIII enhanced green emission compared to the uncoated core. From thermometric studies, the successive depositions of inert layers of LAO contributed to the highest relative thermal sensitivity of 1.79 % K−1 at 305 K, among the systems studied. Therefore, the core@shell strategies were successful in intensifying ErIII emission, both in the green and red regions, and resulted in relevant figures of merit that qualify them for applications in nanothermometry in the biological window.

Topological indices & Hirshfeld pseudo-surfaces synergy to understand the radiation attenuation in materials: Case of study spinel mineral crystals

The present work deals with the radiation attenuation characteristics of spinel minerals, a unique class of minerals with diverse crystalline structures and chemical compositions. We analyze the MAC and LAC in various photon energy spectrum using XCOM and Phys-X software tools. In addition to traditional methods, we employ topological indices (TIs) and Hirshfeld pseudo-surfaces (HPSs) to explore the atomic interactions and electron density distributions within these minerals to pinpointed their effects on the on these γ-radiation attenuation coefficients. Our findings reveal that MAC values decrease with increasing photon energy, a trend observed across all studied spinel minerals. The use of the HPSs provides visual insights into electron density distributions and intermolecular interactions mastered by 2D fingerprints which are correlated with the γ-attenuation of these spinels crystal. Linear regression correlations between TIs and MAC, LAC values demonstrate strong relationships, with the first Zagreb coindex and the Forgotten Index (F-index) emerging as reliable predictors of γ-rays radiations shield properties.

Probing Particle-Carbon/Binder Degradation Behavior in Fatigued Layered Cathode Materials through Machine Learning Aided Diffraction Tomography.

Understanding how reaction heterogeneity impacts cathode materials during Li-ion battery (LIB) electrochemical cycling is pivotal for unraveling their electrochemical performance. Yet, experimentally verifying these reactions has proven to be a challenge. To address this, we employed scanning μ-XRD computed tomography to scrutinize Ni-rich layered LiNi0.6Co0.2Mn0.2O2 (NCM622) and Li-rich layered Li[Li0.2Ni0.2Mn0.6]O2 (LLNMO). By harnessing machine learning (ML) techniques, we scrutinized an extensive dataset of μ-XRD patterns, about 100,000 patterns per slice, to unveil the spatial distribution of crystalline structure and microstrain. Our experimental findings unequivocally reveal the distinct behavior of these materials. NCM622 exhibits structural degradation and lattice strain intricately linked to the size of secondary particles. Smaller particles and the surface of larger particles in contact with the carbon/binder matrix experience intensified structural fatigue after long-term cycling. Conversely, both the surface and bulk of LLNMO particles endure severe strain-induced structural degradation during high-voltage cycling, resulting in significant voltage decay and capacity fade. This work holds the potential to fine-tune the microstructure of advanced layered materials and manipulate composite electrode construction in order to enhance the performance of LIBs and beyond.

Probing Particle‐Carbon/Binder Degradation Behavior in Fatigued Layered Cathode Materials through Machine Learning Aided Diffraction Tomography

Understanding how reaction heterogeneity impacts cathode materials during Li‐ion battery (LIB) electrochemical cycling is pivotal for unraveling their electrochemical performance. Yet, experimentally verifying these reactions has proven to be a challenge. To address this, we employed scanning μ‐XRD computed tomography to scrutinize Ni‐rich layered LiNi0.6Co0.2Mn0.2O2 (NCM622) and Li‐rich layered Li[Li0.2Ni0.2Mn0.6]O2 (LLNMO). By harnessing machine learning (ML) techniques, we scrutinized an extensive dataset of μ‐XRD patterns, about 100,000 patterns per slice, to unveil the spatial distribution of crystalline structure and microstrain. Our experimental findings unequivocally reveal the distinct behavior of these materials. NCM622 exhibits structural degradation and lattice strain intricately linked to the size of secondary particles. Smaller particles and the surface of larger particles in contact with the carbon/binder matrix experience intensified structural fatigue after long‐term cycling. Conversely, both the surface and bulk of LLNMO particles endure severe strain‐induced structural degradation during high‐voltage cycling, resulting in significant voltage decay and capacity fade. This work holds the potential to fine‐tune the microstructure of advanced layered materials and manipulate composite electrode construction in order to enhance the performance of LIBs and beyond.

Vertically aligned and conformal BN-coated carbon fiber to achieve enhanced thermal conductivity and electrical insulation of a thermal interface material

Due to excellent thermal conductivity, high aspect ratio, and low density, mesophase pitch-based carbon fibers (MPCFs) are highly desired in electronic packaging. However, their thermal conductivity is hard to present in the polymer matrix because of the disordered stacking and low filling. Moreover, few researches are focused on the enhancement of the electrical insulation performance for MPCFs. Herein, we report vertically aligned and insulating boron nitride (BN) coated carbon fiber (CF) powders as significant fillers for polymer composites, endowing markedly improved thermal conductivity and electrical insulation. The high-quality BN coating layer on the surface of the CF is produced by a cooling precipitation method and high-temperature treatment with ingenious use of solubility properties, exhibiting a conformal, dense, and highly crystalline structure. This preparation method overcomes the limitations of coating thickness and particle agglomeration, resulting in a 31-fold enhancement of the electrical resistivity of the CF powders. After orientation treatment in a silicone rubber matrix, such CF@BN-filled pads exhibit good thermal conductivity, significantly improved insulation performance, and excellent mechanical properties. Among them, the optimized pad achieves a thermal conductivity of 12.06 W m−1 K−1, a volume resistivity of 50 × 108 Ω cm and a breakdown voltage of 3100 V mm−1, exceptional flexibility, and a favorable compression ratio (@45 psi) of 41.7 %. This work provides unique insights into constructing carbon fiber fillers as well as the preparation of high thermal conductivity composites, thereby expanding the application scenarios of carbon fiber powder in electronic packaging.

Yb3+ concentration influence on NIR and upconversion emission and temperature sensing properties of Er3+/Yb3+ co-doped Ta2O5 particles

We synthesized Er3+ and Yb3+ co-doped tantalum oxide (Ta2O5) spherical sub-micrometric particles by a facile method involving formation of tantalum glycolates after pouring in acetone. Then, we investigated how the annealing temperature and Yb3+ concentration (0–30 mol %) affect their structural and luminescence properties. Particle sizes ranged from 146 to 258 nm for the samples annealed at 800 °C. XRD analysis revealed the orthorhombic L-Ta2O5 crystalline structure. The different symmetry sites that the rare earth ions can occupy within the Ta2O5 structure led to intense and broad emission bands centered around 1530 nm. Up-conversion measurements and the calculated number of photons for intense green and red emissions obtained with 980 and 1550 nm excitations helped us to elucidate the mechanisms involved at both excitation wavelengths. We investigated how the 0.5 mol % Er3+/1.5 mol % Yb3+ co-doped Ta2O5 sample performs as a primary thermometer by using the Boltzmann distribution law to predict the absolute temperature from the ratio between the Er3+ 2H11/2 → 4I15/2 and 4S3/2 → 4I15/2 transitions. We obtained a maximum relative thermal sensitivity of 0.97 ± 0.04 % K−1 and a minimum δT of 2.41 K. The calculated repeatability was above 95%. These results show that promising nanothermometer based on Ta2O5 with controlled size and morphology can be designed.

The effects of adding various starches on the structures of restructured potato-based dough and the oil uptake of potato chips.

The material composition significantly influences the oil absorption and quality characteristics of fried food products. The oil absorption of restructured potato chips is highly dependent on the structural properties of the restructured potato-based dough produced prior to frying. In this study, three types of starch were added to modify the structure of restructured potato-based dough, allowing the production of potato chips with less oil absorption. Distinct differences were observed among the three types of starch in terms of amylose content, chain length distribution, swelling power, solubility, crystalline structure and pasting properties. The addition of wheat starch, corn starch and tapioca starch changed the rheological properties, water distribution and strength of the restructured dough. Importantly, adding wheat starch and corn starch significantly lowered the oil content of potato chips by 7.94% and 13.06%, respectively. The reduction in oil absorption by potato chips was attributed to the increased strength of the starchy gel network of the dough, a slower rate of water evaporation and a limitation of dough expansion during frying. Adding wheat starch or corn starch to restructured potato-based dough resulted in a decrease in the oil absorption of potato chips by creating a stronger starchy gel network in the dough. This study could guide the development of suitable material compositions, which are important for producing fried food products with lower oil content. © 2024 Society of Chemical Industry.

Thermal aging behavior and heat resistance mechanism of ultraviolet crosslinked ultra‐high molecular weight polyethylene fiber

AbstractAs advances in heat resistant ultrahigh molecular weight polyethylene (UHMWPE) fiber via ultraviolet (UV) crosslinking, it is worth paying attention to its thermal aging behavior and heat resistance mechanism. UHMWPE fibers in different forms, the fully drawn yarn (FDY) and the UV crosslinked FDY (UVFDY), are subjected to isothermal aging at 135°C. The effects of thermal aging on their surface morphology and mechanical properties are studied and compared initially. The results demonstrate that UVFDY is a kind of a heat‐resistant fiber. Subsequently, to reveal the heat resistance mechanism of UVFDY, its crystalline and orientation structure evolution during thermal aging are further studied. It is indicated that the formation of dense‐packing crystals and disorientation behavior lead to fiber shrink, so that a number of grooves appear on the fiber surface. Since the crosslinked stucture of UVFDY hinders its molecules movement, the crystallization and disorientation behavior of UVFDY are weaker than those of FDY, resulting in UVFDY possesses slighter thermal shrinkage (Ts), fewer grooves and better mechanical properties than those of FDY. Therefore, the heat resistance of the fiber improves effectively after UV crosslinking. This work provides insights into the structure–property relationship of UVFDY during thermal aging, and offers basis data for its application in specific conditions.

КОЛИЧЕСТВЕННО-КАЧЕСТВЕННАЯ ХАРАКТЕРИСТИКА КРИСТАЛЛИЧЕСКОГО СТРОЕНИЯ РОТОВОЙ ЖИДКОСТИ ЧЕЛОВЕКА С ИСПОЛЬЗОВАНИЕМ ТЕОРИИ ФРАКТАЛОВ. ЧАСТЬ I

The subject of the study is a dried drop of human oral fluid (facies). The goal is to propose a method for quantitative characteristic for the crystalline structure of oral fluid using fractal theory. The task is to create a computer program to calculate the fractal dimension, the area of crystals; length and width of the axes of mixed human saliva crystals. Methodology. To create a computer program for quantitative description of the crystalline structure of the oral fluid facies. The program was created within the framework of cooperation between Omsk State Medical University and Omsk State Technical University. The program, called FracSquare, was developed using the Python programming language version 3.1 and the built-in libraries math, cv2 and plt, which implement algorithms for finding the Minkowski fractal dimension, searching and counting pixels located inside the desired object, as well as an algorithm for finding the hypotenuse. After installing on the computer and launching the program, you need to load a photo of the saliva facies and calculate the fractal dimension and crystal area by pressing the appropriate buttons; the result will appear on the screen in the form of numerical values. Results. The computer program FracSquare allows you to mathematically calculate the fractal dimension, the area of crystals, and also measure the length and width of the branches of human saliva crystals. These digital values provide a quantitative characterization of the crystalline pattern of the saliva facies. Conclusion. The operator receives accurate digital values using a developed computer program, on its basis he can objectively evaluate the microcrystalline pattern of the facies of human saliva in order to identify pathological processes occurring in the body. The indicator of these processes is oral fluid.

Solid state synthesis, structural, DFT and spectroscopic analysis of EuAl3(BO3)4

Huntite-like borates are versatile and promising materials with wide range of applications in frequency conversion, UV light generation, lighting, displays, quantum information storage, and more, demonstrated by their various properties and uses in scientific research. In this work, EuAl3(BO3)4 powder was prepared through multi-stage solid-state reaction method using high-purity starting reagents: Eu2O3, Al2O3 and H3BO3, considering a 20 wt% excess of H3BO3 to compensate for B2O3 volatilization. Obtained samples undergo several treatments at varying temperatures and their phase purity is subsequently verified through powder X-ray diffraction analysis. The scanning electron microscopy reveals that resulting EuAl3(BO3)4 powder consists of granules exhibiting irregular morphologies with dimensions of 0.5–8 μm. The electronic band structure of EuAl3(BO3)4, calculated using the GGA PBE method, reveals f-states of Eu near 4 eV. These states do not produce emphasized peaks on simulated absorbance spectra. Using of DFT + U for the f-states of Eu pushed up f-bands above 6 eV and the charge transfer from p-O to d-Eu was obtained (Egdirect = 5.63 eV, Egindirect = 5.37 eV using Ueff = 4 eV). The variation of Ueff has a weak influence on the position of the bottom of the conduction band. The experimental bandgaps of EuAl3(BO3)4 crystalline powder, both direct and indirect, are found to be 3.96 and 3.67 eV, correspondingly. These values are lower than theoretical values what is associated with limitations of DFT calculations involving f electrons. The Raman spectrum of EuAl3(BO3)4 powder is discussed, detailing the contributions of different ions to specific spectral bands. Investigation of high-resolution luminescence spectra shows the possibility to estimate the content of defects by the testing the violation of the prohibition of ultranarrow 5D0 → 7F0 line that is forbidden in the ideal crystalline structure of trigonal EuAl3(BO3)4.

Synthesis of novel magnetic hydroxyapatite-biomass nanocomposite for arsenic and fluoride adsorption.

A magnetic nanocomposite of hydroxyapatite and biomass (HAp-CM) was synthesized through a combined ultrasonic and hydrothermal method, aiming for efficient adsorption of arsenic (As) and fluoride (F-) from drinking water in natural environments. The characterization of HAp-CM was carried out using TG, FTIR, XRD, SEM, SEM-EDS, and TEM techniques, along with the determination of pHpzc charge. FTIR analysis suggested that coordinating links are the main interactions that allow the formation of the nanocomposite. XRD data indicated that the crystalline structure of the constituent materials remained unaffected during the formation of HAp-CM. SEM-EDS analysis revelated a Ca/P molar ratio of 1.78. Adsorption assays conducted in batches demonstrated that As and F- followed a PSO kinetic model. Furthermore, As adsorption fitting well to the Langmuir model, while F- adsorption could be explained by both Langmuir and Freundlich models. The maximum adsorption capacity of HAp-CM was found to be 5.0mgg-1 for As and 10.2mgg-1 for F-. The influence of sorbent dosage, pH, and the presence of coexisting species on adsorption capacity was explored. The pH significantly affected the nanocomposite's efficiency in removing both pollutants. The presence of various coexisting species had different effects on F- removal efficiency, while As adsorption efficiency was generally enhanced, except in the case of PO43-. The competitive adsorption between F- and As on HAp-CM was also examined. The achieved results demonstrate that HAp-CM has great potential for use in a natural environment, particularly in groundwater remediation as a preliminary treatment for water consumption.

Surface topography and surface morphology of graphene nanocomposite by FESEM, EDX and AFM analysis

The analyzed nanocomposites of this research have been fabricated by the sintering method, where different percentages of boron nitride, zinc oxide, aluminum oxide and titanium oxide have reinforced graphene. The percentages of additives were varied from 0 % to 5 %. An investigation of nanostructural observation, phase identification and structural analysis of graphene nanoparticles has been performed using Field Emission Scanning Electron Microscopy (FESEM), Energy Dispersive X-ray (EDX) analysis and X-Ray Diffraction (XRD) analysis. The morphology of the synthesized materials was investigated by examining the FESEM pictures at different magnifications. The micrographs depict the hetero-materials' amalgamation, resulting in the formation of compacted particles that collectively exhibit a prominent bulbous morphology. The size and shape of different particles in the nanocomposites are visible from the FESEM images. The assays conducted by EDX have verified the presence of the necessary components, exhibiting a high degree of purity. Further insights about the nanocomposites have been obtained from Atomic Force Microscopy (AFM) analysis. AFM analysis revealed the surface roughness, which increased to 11.9 from 4.4 µm due to the addition of BN. The crystalline structure has been confirmed from the XRD analysis.