X-ray Diffraction Studies Research Articles

Структура, ріст та оптичні характеристики монокристалів сульфанілату гуанідинію (GSA)

Guanidine Sulphanilate (GSA) single crystal was grown by slow evaporation growth method. Single crystal X-ray diffraction studies show that the crystal grows in a centro symmetric monoclinic system and its space group is P21/c. Optical studies were carried out using UV visible spectroscopy and the grown crystal shows the the lower cutoff wavelength of 220 nm. Photoluminescence studies show that GSA crystals have good luminescence properties. Laser damage threshold was found to be 0.24GW/cm2. Nonlinear optical studies show green light emission.

Ni Single Atom Decorated Porous Hollow Carbon Nanosphere-Based Electrodes for High Performance Symmetric Solid-State Supercapacitors.

Ni single atom containing hollow carbon nanospheres with nitrogen doping has been synthesized by carbonization of Ni(NO3)2/phloroglucinol-formaldehyde polymer/silica composite. The samples have been characterized by powder X-ray diffraction, nitrogen adsorption/desorption, electron microscopic, Raman and X-ray photoelectron spectroscopic studies. The microstructure and surface area vary with the amount of Ni(NO3)2 employed in the syntheses and the carbonization environment. An optimized amount of nickel and argon as the carbonization gas afford Ni-1.0@N@HCN-Ar which possesses overall superior features. The uniformly dispersed Ni single atoms within the hollow porous carbon framework fully utilize all the electroactive sites thereby improving the supercapacitive performance. The specific capacitance of Ni-1.0@N@HCN-Ar reaches 777 F∙g-1 at 1 A∙g-1 with a Coulombic efficiency of 98.4% and excellent recyclability. The energy and power density of Ni-1.0@N@HCN-Ar are found to be high; at 1 A∙g-1 its energy density is 155.4 Wh∙kg-1 with a power density of 600.3 W∙kg-1. At a high current density of 10 A∙g-1 the material shows a high energy density of 118.4 Wh∙kg-1 with excellent power density of 6003.4 W∙kg-1. A symmetric solid-state supercapacitor assembled with this material, Ni-1.0@N@HCN-Ar//Ni-1.0@N@HCN-Ar using H2SO4/PVA gel electrolyte shows a superior energy density value of 30 Wh∙kg-1 at a power density of 1200 W∙kg-1.

X-ray Diffraction Study of Metallized Polyethylene for Creating Heat Storage Systems

The paper analyzes the prospects of using a heat-accumulating material consisting of metallized polyethylene granules. X-ray diffraction analysis has been used to study the influence of the number of heating and cooling cycles of the heat-accumulating material on the change in the degree of crystallinity of polyethylene. It was shown that the proposed heat-accumulating material showed a low resistance and a significant decrease in the degree of crystallinity of polyethylene under the experimental conditions. The crystal structure of polyethylene did not change during cyclic heating and cooling. Grounded on the obtained experimental results, it was determined that a high degree of polyethylene crystallinity is being kept for 200–300 heating-cooling cycles.

Influence of pH on growth, structural, thermal, linear and nonlinear optical properties of L-asparagine monohydrate single crystal

This report presents investigation on influence of pH on growth, structural, thermal, linear and nonlinear optical properties of L-asparagine monohydrate (LAM) single crystal for the first time. Single crystals of LAM were grown at different pH by solution growth method by allowing slow evaporation of solvent. Crystal grown at pH 6.4 grows slowly as compare to other crystals grown at other pH values. The slight variation in lattice parameters of grown crystals has been confirmed by powder X-ray diffraction study. FT-IR study confirms the presence of functional groups of LAM in all grown crystals. Influence of pH on optical quality of crystals has been discussed. The crystal grown at pH 5.4 has maximum optical transparency and shows 2 and 20 % more transmission than crystals grown at pH 4.4 and 6.4, respectively. Other optical parameters like cutoff wavelength (λmax), band gap (Eg), linear refractive index (n), reflectance, extinction coefficient (k), electrical susceptibility (χ), optical conductivity(σop), electrical conductivity (σel) and Urbach energy (Eu) of all crystals have been evaluated from transmission data. The LAM crystal grown at pH 6.4 show high values of third order nonlinear optical parameters, as compare to other grown crystals, that attest its suitability for applications like higher harmonic generation, optical switching, optical limiting and other photonic applications over other grown crystals. Thermal stability of the grown crystals has been attested by TG-DTA study.

Intramolecular Charge Transfer and Stimuli-Responsive Emission in Cholesterol-Appended Phenothiazine-Cyanostyryl-Based Donor-Acceptor Systems.

Organic fluorescent molecules have received considerable attention owing to their various optoelectronic applications. Herein, we report the design and synthesis of two cholesterol-functionalized cyanostyrene-phenothiazine-based D-π-A systems that are emissive in both the solution and solid states. The newly synthesized cholesterol-appended phenothiazine-cyanostyrene diads PTCS-1 and PTCS-2 vary in the N-alkylation of phenothiazine, respectively, with─octyl and─hexyl chains. Both molecules are highly fluorescent and show reasonably good quantum yields in nonpolar solvents because of twisted intramolecular charge transfer (TICT). The molecules exhibit aggregation-induced emission in the solid state. Due to the presence of flexible alkyl chains in the phenothiazine and cholesterol moieties, PTCS-1 and PTCS-2 show mechanochromic luminescence switching in response to external shear stress and emission recovery under methanol vapor. Powder X-ray diffraction studies prove that the emission switching on the applied stimuli in both PTCS-1 and PTCS-2 is attributed to the reversible transformation between the crystalline and amorphous states. Time-dependent density functional theory (TD-DFT) studies are carried out to gain insight into the ICT interactions. TD-DFT analysis at the TD-M06-2X/def2-TZVP level further revealed that in both molecules, the lowest unoccupied molecular orbital (LUMO) + 2, LUMO, highest occupied molecular orbital (HOMO), and HOMO - 1 orbitals are responsible for the charge transfer interactions. These ICT interactions are identified as π-π* type interactions.

Work hardening and X-ray diffraction studies on ASS 304 at high temperatures

Abstract One of the most common characteristics of metallic alloys is work hardening, which is most beneficial as it is the primary reason for the alloys’ tenacity to withstand loading even in the presence of internal flaws or geometrical errors. Thus, the work hardening coefficient gives the maximum amount of homogeneous plastic deformation in tensile straining. Thus, complex-forming operations are facilitated by a high coefficient without experiencing premature failure. Naturally, work hardening has a significant impact on the mechanical energy required to shape a material by plastic deformation, such as rolling, forming, etc. The quantity of energy that the material stores during plastic deformation is also managed by work hardening. As a result, it significantly influences how the metal behaves when it is subsequently softened during annealing. Finally, the hardening capacity and durability of the work hardened state are significant practical challenges because many high-volume stretch formed components are directly used. Typically, the current study begins, at homologous temperatures above 0.4 times melting point, with a description of work hardening at 700, 800, and 900°C temperatures in three different orientations with respect to rolling direction R 0, R 45, and R 90 and 10−1−10−3 s−1 strain rates, where thermally triggered processes exhibit a prominent role in work hardening. Three stages of behavior were identified by analyzing the tensile work hardening of ASS 304 steel. Dynamic strain aging is the cause of the anomalous fluctuation in the work hardening rate that is seen in hot working temperatures. X-ray diffraction examination is conducted to introspect any phase changes occurring in hot working regions improving plasticity of ASS 304.

Interactions of Brominated Flame Retardants with Membrane Models of Dehalogenating Bacteria: Langmuir Monolayer and Grazing Incidence X-ray Diffraction Studies.

Brominated flame retardants (BFRs) are small organic molecules containing several bromine substituents added to plastics to limit their flammability. BFRs can constitute up to 30% of the weight of some plastics, which is why they are produced in large quantities. Along with plastic waste and microplastic particles, BFRs end up in the soil and can easily leach causing contamination. As polyhalogenated molecules, multiple BFRs were classified as persistent organic pollutants (POPs), meaning that their biodegradation in the soils is especially challenging. However, some anaerobic bacteria as Dehaloccocoides can dehalogenate BFRs, which is important in the bioremediation of contaminated soils. BFRs are hydrophobic, can accumulate in plasma membranes, and disturb their function. On the other hand, limited membrane accumulation is necessary for BFR dehalogenation. To study the BFR-membrane interaction, we created membrane models of soil dehalogenating bacteria and tested their interactions with seven legacy and novel BFRs most common in soils. Phospholipid Langmuir monolayers with appropriate composition were used as membrane models. These membranes were doped in the selected BFRs, and the incorporation of BFR molecules into the phospholipid matrix and also the effects of BFR presence on membrane physical properties and morphology were studied. It turned out that the seven BFRs differed significantly in their membrane affinity. For some, the incorporation was very limited, and others incorporated effectively and could affect membrane properties, while one of the tested molecules induced the formation of bilayer domains in the membranes. Thus, Langmuir monolayers can be effectively used for pretesting BFR membrane activity.

A tetrahedral neptunium(V) complex.

Neptunium is an actinide element sourced from anthropogenic production, and, unlike naturally abundant uranium, its coordination chemistry is not well developed in all accessible oxidation states. High-valent neptunium generally requires stabilization from at least one metal-ligand multiple bond, and departing from this structural motif poses a considerable challenge. Here we report a tetrahedral molecular neptunium(V) complex ([Np5+(NPC)4][B(ArF5)4], 1-Np) (NPC = [NPtBu(pyrr)2]-; tBu = C(CH3)3; pyrr = pyrrolidinyl (N(C2H4)2); B(ArF5)4 = tetrakis(2,3,4,5,6-pentafluourophenyl)borate). Single-crystal X-ray diffraction, solution-state spectroscopy and density functional theory studies of 1-Np and the product of its proton-coupled electron transfer (PCET) reaction, 2-Np, demonstrate the unique bonding that stabilizes this reactive ion and establishes the thermochemical and kinetic parameters of PCET in a condensed-phase transuranic complex. The isolation of this four-coordinate, neptunium(V) complex reveals a fundamental reaction pathway in transuranic chemistry.

Thermoelectric and photovoltaic properties of 12-BaBi2S4

In this report, we have investigated the structure and properties of the 12-BaBi2S4. A single crystal X-ray diffraction study shows that the 12-BaBi2S4 crystallizes in the hexagonal crystal system (space group = P63/m) with refined lattice parameters of a = b = 25.2687(10) Å, c = 4.1859(2) Å, and formula unit = Z = 12 at room temperature. The structure contains fifteen crystallographic independent sites, including three Ba, four Bi, and eight types of S atoms. A phase pure polycrystalline sample of 12-BaBi2S4 was synthesized by heating stoichiometric amounts of BaCO3 and Bi2O3 under a CS2 atmosphere. The phase pure sample is found to be a semiconductor with a direct bandgap of 1.3(1) eV. The polycrystalline 12-BaBi2S4 exhibits ultra-low thermal conductivity values, varying from 0.47 Wm−1K−1 at 323 K to 0.43 Wm−1K−1 at 773 K. The sample shows high values of the Seebeck coefficient (S = −300 μV/K to −210 μV/K) in the 323 K–773 K range with poor electrical conductivity values. The negative sign of the S implies that the sample is a n-type semiconductor. DFT studies of the 12-BaBi2S4 also predict semiconducting properties. We have explored the 12-BaBi2S4 sample for photovoltaic (PV) applications by fabricating a liquid junction solar cell, TiO2/CdS/12-BaBi2S4/Sn2−/S2−/MWCNTs@Ni, which delivered an efficiency enhanced by ∼12 % to the control cell based on sole CdS as the photo-sensitizer. Theoretical electronic structure calculations suggest the semiconducting nature of the 12-BaBi2S4 in agreement with the optical absorption and electrical resistivity studies.

1,2,3-Triazole-containing azamacrocycles from chiral triazolopeptoids: synthesis and solid-state studies.

Two new chiral 1,2,3-triazole-containing macrocyclic oligoamides (i.e.: triazolopeptoid 4 and 5) were obtained through solid-phase synthesis of linear precursors followed by high dilution macrocyclization reaction. Theoretical (DFT) and spectroscopic (NMR) studies revealed the intricate interplay between the Na-chiral side chains and their conformational attitudes. BH3-mediated reduction of the tertiary amide groups of known 1-3 and newly synthesized 4 gave novel azamacrocycles 6-9. Detection of borane complexes of azamacrocycles 6 and 9 (i.e.: 10 and 11), corroborated by X-ray diffraction studies, demonstrated the peculiar properties of 1,2,3-triazole-containing macrorings.

Deep eutectic solvent-assisted synthesis of transition metal oxide and its integration into polymer matrix for supercapacitor

Transition metal oxide-based materials continue to attract interest in energy and environmental applications due to their unique characteristics. However, their integration with polymers needs to be explored to achieve enhanced capacitance values. To address this issue, two step strategy is utilized wherein the first step involves preparation of a pristine transition metal oxide (Co3O4) by a deep eutectic solvent (DES) consisting of choline chloride and hydrogen donor ethyelene glycol in the ratio of 2:1. In the second step the environmentally friendly high energy ball milling is utilized with strong mechanical forces producing desired poly-3-dodecyl thiophene (P3DDT)-wrapped cobalt oxide (Co3O4). The structural and morphological properties of the prepared Co3O4 and its composite (P3DDT-Co3O4) are determined by aid of X-ray diffraction (XRD) studies, Field emission scanning electron microscope (FESEM), and X-ray photoelectron spectroscopy (XPS). The synthesized Co3O4 exhibited petal-like morphology, whereas in P3DDT-Co3O4 the polymer appears to be completely wrapped on transition metal oxide. The electrochemical characteristics of electrodes were studied. The P3DDT-Co3O4 exhibited higher specific capacitance (294F/g) than pristine Co3O4 (174F/g) at a current density of 1 A/g and its retention capacity increased (96%) and then decreased (93%) over 5000 cycles in a three-electrode cell assembly. The lowest capacitance (136F/g) was obtained for P3DDT. Experimental results demonstrate that the design is suitable for upgrading favorably active electrochemical spots in Co3O4 during the incorporation of P3DDT by the ball-milling procedure, showing outstanding performance in energy-storage applications.

Mercaptoethanol-assisted synthesis of sulfonic acid-functionalized polysiloxanes as inorganic fillers in composite membranes for energy-storage applications

Developing proton-exchange membranes (PEMs) for energy applications is necessary for fulfilling the increasing energy demand without environmental effects. In this study, we prepared composite membranes containing mercaptoethanol-assisted sulfonic acid-functionalized polysiloxanes (MASFPs) and perfluorinated sulfonic acid (PFSA). The MASFP-containing composite membrane (i.e., CMASFP-2) exhibited better membrane properties than the composite membrane prepared without mercaptoethanol (CMASFP-1) and the reference Nafion 212 membrane. Wide-angle X-ray diffraction (XRD) studies revealed a broad peak at 2θ = 17.4° and 39°, indicating that the composite membranes are semicrystalline. Scanning electron microscopy (SEM) analysis revealed that the prepared composite membranes had good morphology, whereas energy-dispersive X-ray spectroscopy analysis revealed that it had siloxane and more sulfonic acid than the pristine PFSA membrane. Thermogravimetric and mechanical strength analyses revealed that incorporating sulfonic acid-functionalized siloxanes improved the thermal stability and mechanical strain of the membrane. The prepared CMASFP-2 membrane had a high ionic conductivity of 0.106 mS cm−1 and an ion-exchange capacity of 1.09 meq·g−1. CMASFP-2 also exhibited lower hydrogen gas permeability than the Nafion 212 and PFSA membranes, demonstrating that it can be used for energy applications.

Effect of Hydrogen Bonding and Chirality in Star-Shaped Molecules with Peripheral Triphenylamines: Liquid Crystal Semiconductors and Gels.

Organic semiconductors with well-defined architectures pose a suitable alternative to amorphous silicon-based inorganic semiconductors. Encouraged by the development of organic semiconductors based on columnar liquid crystals, herein, we report on a family of C3-symmetric star-shaped mesogens based on triphenylamine (TPA), a functional unit with strong electron donor character. Highly stable columnar phases with high hole mobility values were obtained out of this nonplanar functional unit, and this was achieved by using flexible amide spacers to join the TPA units to a tris(triazolyl)triazine (T) star-shaped core, allowing the formation of intermolecular hydrogen bonds. The presence of hydrogen bonds results in a stabilization of the columnar architectures either in bulk or in the presence of solvents by reinforcing π-stacking and van der Waals interactions, as deduced by Fourier-transform infrared (FTIR) and X-ray diffraction (XRD) studies. Furthermore, the introduction of a stereogenic center in the flexible spacer prompts the formation of chiral aggregates in the liquid crystal state and in the organogel formed in 1-octanol, as demonstrated by circular dichroism spectroscopy.

Structural, Optical, and Magnetic Properties of Mn Doped Zn3P2 Diluted Magnetic Semiconductor Nanoparticles

Mn-doped Zn3P2-diluted magnetic semiconducting nanoparticles (Zn0.98Mn0.02P2, Zn0.96Mn0.04P2, Zn0.94Mn0.06P2, and Zn0.92Mn0.08P2) were synthesized by a conventional solid-state reaction followed by a subsequent vacuum annealing process. The formation of a tetragonal structure of pure and Mn-doped Zn3P2 was confirmed by X-ray diffraction studies, with no evidence of any further phases. Lattice parameters dicrease from a = b = 8.133 Å, c = 11.459 Å to a = b = 8.041 Å, c = 11.410 Å with increasing dopant concentration. Scanning electron microscpy analysis indicated that all samples that underwent doping exhibited agglomeration in the scanned range of 500 nm. Energy-dispersive X-ray analysis confirmed the presence of Zn, P, and Mn in the samples, and all of the synthesized samples achieved a nearly atomic ratio. In the diffused reflectance spectra, the optical band gap increases from 1.398 to 1.418 eV with increasing dopant concentration. PL has provided evidence indicating that the emission intensity of all doped samples remains constant with increasing dopant content from x = 0.02 to 0.08, with different excitation wavelengths (215 and 290 nm). Vibrating sample magnetometer tests confirmed the presence of ferromagnetic behavior at room temperature, and a positive correlation between saturation magnetization and Mn content, with the magnetic moment increasing from 0.0640 to 0.1181 emu g−1 with an increase in dopant content.

Structural, optical and photoluminescence characteristics of apatite type lanthanide silicates

This article reports the solid state synthesis of apatite type rare earth-transition metal silicates Nd4MnSi3O13 and Sm4MnSi3O13. These oxyapatite type lanthanide silicates were characterized through structural, micro structural, optical and photoluminescence properties. The indexed X-ray diffraction patterns and Raman analysis confirm that both the samples crystallize in single phase hexagonal symmetry with space group P63/m. Transmission electron microscopy images along with electron diffraction pattern indicate the good crystalline nature of both the samples which further support the results obtained from X-ray diffraction study. The optical band gap energies are found to be 4.1 eV and 3.9 eV for Nd4MnSi3O13 and Sm4MnSi3O13 respectively. The wide optical band gap values of these semiconductor silicates make enable them for fundamental and technological applications. The luminescent properties and CIE coordinates showed the green-yellow emission of these synthesized silicates which further indicate that these compounds may have uses in solid state lighting because of the tunable luminescence.

Effect of hetero-valence ions on structural and electrical properties of La2Ni(Mn0.5Ti0.5)O6 ceramics

The study of powder X-ray diffraction of La2Ni(Mn0.5Ti0.5)O6 (0.5LNMT) confirms a multi-phasic composition. The monoclinic P21/n phase content dominates. Occurrence of minor rhombohedral R3‾c phase and precipitates of MnO2 and La2MnO4 were detected. The morphology was analyzed using a SEM test and ceramics showed a porous structure and variation in the grain size below 4 μm. Dielectric permittivity of marked magnitude varies from ∼30 to ∼100 000 when temperature increases. Dielectric loss coefficient frequency dependence exhibits well-defined dielectric relaxation peaks, which were found to obey the Arrhenius law with the activation energy of 0.29 eV, below the presumed phase transition. Two sets of relaxation peaks in the imaginary part of electric modulus spectra relate to relaxations of different activation energies of 0.28 eV and 0.38 eV. An optical gap magnitude of 0.8 eV was determined from the diffuse reflectance spectrum in the Vis-NIR range. It compares with the band gap estimated from the X-ray photoelectron spectroscopy test. We also compare the influence of doping ions on the crystal lattice of the surface and the bulk ceramics. Electrical conductivity relaxation processes were attributed to the electron hopping mechanism between multi-valence Mnk+ and Nin+ ions’ states, which were determined from XPS analysis. The dc resistivity shows thermally generated dependence. Activation energy Edc magnitude varies between 0.27 and 0.37 eV which indicates the occurrence of defects and structural disorder. Such disorder correlates to the variable range hopping of small polarons involved in electrical conductivity. The density of states near Fermi energy was estimated N(EF) = 2.1 × 1025 eV−1 m−3. The 0.5LNMT application prospects were discussed.

Lithium(I), Cesium(I), Barium(II) and Cadmium (II) [2-(2,6-dichlorophenylamino)phenyl]acetate (diclofenac) complexes and coordination polymers

Two new lithium complexes and three coordination polymers with cesium, barium, and cadmium having deprotonated diclofenac acid (HDFA) ligand are reported. All these non-ionic complexes or the coordination polymers were characterized by single crystal X-ray diffraction, IR and thermal studies. The lithium-diclofenac complexes, [Li(DFA)(H2O)3] and [Li(DFA)(H2O)2(DMF)] were respectively obtained from reaction carried out in aqueous ethanol or dimethylformamide as solvent. Each formed hydrogen bonded 2D-sheets, which were further assembled into 3D-layers by involving edge-on Cl-π interactions. The respective average particle sizes determined by dynamic light scattering of the respective lithium complexes were 648.3 nm and 588.8 nm. The average particle size of the tri-aquated complex dissolved in water was decreased upon addition of dimethylformamide. The cesium coordination polymer [Cs(DFA)(μ-H2O)2]n had two-dimensional sheets formed through dative bonds. The hydrophobic parts of the sheets were projecting outward and two alternative sheets were inter-linked by edge-on chlorine-π interactions (3.391 Å) to provide 3-D supramolecular layered structure. One dimensional barium coordination polymer [Ba(DFA)2(H2O)4]n and a cadmium coordination polymer [{Cd(DMF)4}2+{Cd(DFA)4}2−]n having linear-chain structure were reported. The linear chain of the cadmium coordination polymer was comprised of the coordinatively linked assembly of complex cation [Cd(DMF)4]2+ with anion [Cd(DFA)4]2− located at alternative positions by side-on carboxylate bridges.

High response chemiresistive room temperature ammonia gas sensor based on La-doped ZnO samples

The current study describes the excellent sensing properties of zinc oxide samples with varying La doping concentrations (1, 3, and 5%). The X-ray diffraction (XRD) study suggests that the produced ZnO samples exhibit hexagonal structure. Due to varying concentrations of La, a notable difference in the morphological image of the samples was observed using a Field Emission Scanning Electron Microscope (FESEM). The existence of La, Zn, and O elements in the sample was analyzed by Energy Dispersive X-Ray Analysis (EDX). The Fourier Transform Infrared Spectroscopy (FTIR) studies validate the sample’s structure and functional group. The UV–Vis results showed that the maximum optical reflectance of 90% was attained in the visible region and the obtained band gap values for the samples were in the range of 3.27–3.33 eV. At ambient temperature, the La-doped samples demonstrated high sensitivity towards NH3 and had the highest response value of 1940% for the 250 ppm. According to the results, an excellent operating stability, and response/recovery time were obtained for the ZnO:La1% sample which suggests that the sample can serve as the most appropriate metal oxide for the detection of NH3 at room temperature.

Strategic Ni integration to study its impact on the photoluminescence and photocatalytic performances of SnO2 nanorod architecture

The sol-gel process was utilized to fabricate SnO2 nanoparticles, both in their pure form and with the addition of Ni dopants. The nanoparticles obtained were further examined to ascertain the characteristics associated with their structure, alterations in band gap, and photocatalytic performance. The insertion of nickel ions into tin sites hinders the formation of grain growth in tin oxide. The variation in the valence states and ionic radius of Sn4+ and Ni2+ ions, as revealed by X-ray diffraction (XRD) study, accounts for this disparity. FTIR measurements indicate the existence of stretching vibrations of metal-oxygen bonds that include Ni ions in the doped samples. The photoluminescence (PL) analysis reveals that the introduction of nickel doping alters the band structure of SnO2, leading to the creation of additional defect states, such as oxygen vacancies inside the crystal lattice. A study was undertaken to investigate the photocatalytic (PC) activity of SnO2 in the presence of Ni dopants. The results revealed a noticeable improvement in the efficiency of photodegradation. The degradation of Congo red (CR) dye using Ni-SnO2 nanocrystals achieves an efficiency of 94.88 % within a duration of 180 minutes. An analysis has been conducted on the impact of dye content, photocatalyst dosage, and pH on the degradation efficiency. As per the study, lower dose of Ni-SnO2 has shown better degradation efficiency in comparison to other studies. The improved performance of Ni-SnO2 can be ascribed to two main factors: the inhibition of carrier recombination due to the inclusion of defective states, and the production of hydroxyl radicals (OH•). The stability and reusability of these photocatalysts have been noted in their efficient application for environmental remediation.

Ni-rich LiNi0.905Co0.043Al0.052O2 cathode material for high-energy density Li-ion cells: Tuning lithium content, structural evolution, and full-cell performance

Ni-rich LiNi0.905Co0.043Al0.052O2 oxides with the Li excess (x) up to 7 mol.% used in the synthesis are prepared by a facile dry-mixing method. It is shown that the Li/Ni mixing level and crystallite size are dependent on the Li amount, while Al from the precursor acts as a scavenger of the excessive Li. Operando X-ray diffraction (XRD) studies enable explaining differences in the structural evolution of materials exhibiting high and low Li/Ni mixing, especially in the H2↔H3 transition region. Soft X-ray absorption spectroscopy (XAS) studies show differences in the charge state evolution of the surface and bulk Ni. The optimized oxide with the Li excess x = 2 mol.% delivers excellent electrochemical performance, with an initial discharge capacity of 205.5 mAh g−1 at 0.1C, and 91.4% capacity retention after 100 cycles at 1C. The unmodified in any other way cathode material allows achieving the discharge capacity of 178.5 mAh g−1 at the high rate of 5C, and works well in the full-cells.