Crystals, Volume 13, Issue 7

In this study, an enclosed cooling slope channel (ECSC) was used to produce a semi-solid slurry of the 7075 aluminum alloy. The effects of the pouring temperature and the rate of cooling water on the microstructure of the semi-solid slurry were studi...

Prior to 2021, 4-bromo-1H-pyrazole (published in 1999) was the only structurally characterized 4-halogenated-1H-pyrazole in the Cambridge Crystallographic Data Center (CCDC). The structures of 4-chloro-1H-pyrazole and 4-fluoro-1H-pyrazole were publis...

Energetic Materials (EMs) are a traditional branch of materials [...]

Due to its high bonding energy and low self-diffusion coefficient, silicon nitride (Si₃N₄) ceramics cannot form a dense structure with prolonged high-temperature insulation or by raising the sintering temperature. To improve the density of the sinter...

The aim of this work was to scrutinize the physiochemical properties of a new pyridazin-3(2H)-one derivative with potential pharmaceutical effectiveness via density functional theory (DFT) and molecular docking analysis. The compound 2-(2-(4-fluoroph...

In this study, the geometric structure, strain energy, and electronic properties of armchair ${\mathrm{C}}_2\mathrm{O}$ nanotubes $(\mathrm{A}\_{\mathrm{C}}_2\mathrm{O}\mathrm{N}\mathrm{T}\mathrm{s}(\mathrm{n},\mathrm{n}\left)\right)$ and zigzag ${\mathrm{C}}_2\mathrm{O}$ nanotubes $(\mathrm{Z}\_{\mathrm{C}}_2\mathrm{O}\mathrm{N}\mathrm{T}\mathrm{s}(\mathrm{n},0\left)\right)$ are studied in detail. The results show that these nanotubes behave as special s...

The tensile creep of Al-5Cu-0.8Mg-0.15Zr-0.2Sc(-0.5Ag) was tested at 150–250 °C and 125–350 MPa, and the effect of Ag on the high-temperature creep of Al-Cu-Mg alloys was discussed. After the addition of Ag, the high-temperature creep...

Understanding the influence of γ′ and secondary-phase fractions on the mechanical properties of superalloys is very important to optimize these high-strength materials. So far, this has not been systematically investigated for the novel c...

Continuous tubular crystallizers that can provide high yield and better control of crystal size would be of great interest to the industrial crystallization process. However, most continuous crystallizer designs face challenges either due to surface...

Existing and future display and non-display applications of thermotropic liquid crystals rely on the development of new mesogenic materials. Electrical measurements of such materials determine their suitability for a specific application. In the case...

This study compares the performance of two types of capacitive devices, indium tin oxide-aluminum oxide-zirconia aluminum oxide-silicon oxide-silicon (IAZAOS) and indium tin oxide-aluminum oxide-hafnium aluminum oxide-silicon oxide-silicon (IAHAOS),...

This work concerns two stages of research into plasma nitriding (change of nitriding steel and modification of nitriding parameters). In the first stage, pins obtained from currently used steel were compared with pins made of an alternative material...

The analogy of electromagnetically induced transparency (EIT) in perovskite metamaterials is characterized by the numerical simulations in finite-difference time-domain (FDTD). The perovskite metamaterials consist of two cut wire resonators (CWRs) an...

An unusual heterobimetallic volatile compound [Pb₂Co₅(acac)₁₄] was synthesized by the gas phase/solid-state technique. The preparation can be readily scaled up using the solution approach. X-ray powder diffraction, ICP-OES analysis, and DART mass spe...

A cyclobenzaprine-tetraphenylborate (CBP-TPB) complex was synthesized, achieving a 78% yield through an anion exchange reaction. The white crystals of the complex were formed in acetonitrile and characterized using a variety of spectroscopic and anal...

Pure and Ni-doped (1%, 2%, and 3%) nanostructures were synthesized using a novel laser-assisted chemical bath synthesis (LACBS) technique. For the first time, LACBS was used to create a doping solution utilizing a 7 W blue laser with a 444.4 nm wavel...

Optimisation at B3LYP/6-311G(d,p) was used in a DFT study of the characteristics of 2-methylthio(methylsulfonyl)-triazoloquinazolines (1, 2). The design-critical role of intramolecular hydrogen bonding in stabilising both structures is emphasised. Th...

A new ethylene derivative was synthesized as a precursor for the [3+2] cycloaddition (32CA) reaction to access a novel spirooxindole embodied with benzimidazole with a pyridine spacer. The chalcone derivatives 3a–j is obtained with condensation of th...

The complex [Ni₃L₆]•1.56CH₂Cl₂ (HL = (E)-2-(((3,4-dimethylphenyl)imino)methyl)phenol) was isolated in the monoclinic C 2/c space group. All nickel atoms are six-coordinate with a nickel atom bound to only O-phenol atoms, while the two terminal c...

We ought to correct the misprinted terms in our published paper ‘Unsteady Convective MHD Flow and Heat Transfer of a Viscous Nanofluid across a Porous Stretching/Shrinking Surface: Existence of Multiple Solutions’ [Crystals2021, 11, 1359]...

This study evaluated the electronic structure and optical properties of Fe-doped, Ni-doped, and (Fe,Ni)-co-doped Cu₂ZnSnS₄ through the first-principles pseudopotential plane-wave method based on density functional theory. The results indicated that F...

The biomimetic synthesis of a ZnO/C nanocomposite has been achieved using the egg white-assisted self-combustion method. The characterization of this composite has been carried out using different techniques, such as XRD, FTIR, Raman, SEM/EDS and TEM...

The titanium/aluminum composite materials overcome the limitations of single metal materials and achieve lightweight, high-strength, and corrosion-resistant properties. However, there have been no reports on explosion-welded composites of titanium al...

In June 2019 the first volume of a Special Edition of Crystals with the subject Compounds with Polar Metallic Bonding was presented [...]

Lomefloxacin (F1) and pefloxacin (F2) have a broad spectrum of antimicrobial activities against gram-positive and gram-negative bacteria. In this study, we investigated the complexation mode, morphological, and biological properties of four metal-bas...

In this paper, the structural and electronic properties of P/SnBr₂ heterojunctions were investigated using the first-principles calculation method based on the density functional theory (DFT). The band alignment of the P/SnBr₂ heterojunction was type...

Semipolar AlGaN multiple quantum wells (MQWs) have unique advantages in deep ultraviolet light emitters due to the weak Quantum-Confined Stark Effect. However, their applications are hampered by the poor crystalline quality of semipolar AlGaN thin fi...

In this study, we present an intrinsic device parameter method based on a single device for disordered polymer field-effect transistors (PFETs). Charges in disordered polymer semiconductors transport through localized states via thermally activated h...

Scandium is a rare earth element that has been declared a critical raw material by the EU. Its availability is low but the demand for it is increasing. Bauxite residue presents a possible European source. A novel process to extract scandium from the...

The temperature-dependent energy storage properties of four tungsten bronze-type ceramics are studied together with an investigation of their structure and temperature-dependent permittivity response, i.e., Ba₆Ti₂Nb₈O₃₀ (BTN), Ba₆Zr₂Nb₈O₃₀ (BZN), Sr₃...

We have systematically studied the growth of N-polar GaN on sapphire in metal–organic vapor phase epitaxy (MOVPE) on different misoriented (0001) sapphire substrates. The key parameter was the NH${}_3$ flow, which affects the roughness, growth rate,...

In this paper, the results of a study on the influences of different morphologies, types, and sizes of inclusions on the fatigue lives of 20CrMnTi are reported. The results show that the addition of the rare earth element Ce can lead to the formation...

Nephrolithiasis is a pathological condition characterized by the formation of solid crystals in the kidneys or other parts of urinary tract. Kidney stones are a serious public health issue and financial burden for health care system, as well as a pai...

Using first-principle spin-density functional computations, the structural, magnetic, and electronic properties of the Cr- and V-doped diluted magnetic semiconductors Ca_1-xCr_xS and Ca_1-xV_xSe at x = 0.25 in the B1 (NaCl) phase are explored. Elastic co...

The thermal fatigue behavior of multicomponent Al-7Si-0.3Mg alloys in four different treatment states at typical temperature amplitudes 20 °C→350 °C was studied. The morphology of the second phase particles and crack propagation, and dis...

Mesoporous silica nanoparticles (MSNs) are highly porous carriers used in drug and gene delivery research for biomedical applications due to their high surface area, narrow particle size distribution, and low toxicity. Incorporating disulfide (SS) bo...

The addition of Ni impurities can reveal the correlation between crystal structure changes and magnetic properties and superconductivity. In this study, electron-doped cuprates with an addition of the Eu_1.84Ce_0.16Cu_1−yNi_yO_{4+α−&delta}...

Crystals of NaSn₂F₅ were obtained from an aqueous solution. Their morphology and habitus were studied via scanning electron microscopy and X-ray phase diffraction analysis. The crystals obtained have a long prismatic shape with a very large aspect ra...

Chemical, structural, and thermal properties of recovered nematic Liquid Crystal (LC) mixtures were investigated by applying several analytical techniques. A large quantity (65,700) of End-Of-Life (EOL) Liquid Crystal Display (LCD) screens were used...

Piezoelectric materials can realize the mutual conversion of electrical energy and mechanical energy, and are widely used in electronic devices such as piezoelectric filters, micro-displacers, actuators, and sensors, which have crucial uses in the fi...

2-, 4-, 5-, and 6-hydroxynicotinic acids were crystallized in a pH-dependent manner using only water as the preferred solvent. The crystallization outcome was quite diverse: individual crystals of different sizes and shapes, microcrystalline powders,...

Gadolinium aluminate perovskite (GdAlO₃) was studied at high pressures of up to 23 GPa in a diamond anvil cell (DAC) using monochromatic synchrotron X-ray powder diffraction. Evidence of a pressure-induced phase transformation from orthorhombic (Pbnm...

Due to the increasing cases of bone damage and bone graft demand, bone-repair technology has great social and economic benefits and the manufacturing of artificial bone implants has become a focus in the domain of regenerative therapy. Considering th...

In this work, titanium oxide nanotubes (TNTs) were formed by anodic oxidation on the surface of a Ti–6Al–4V alloy. An electrolyte based on ethylene glycol (EG) and ammonium fluoride (NH₄F) was used. Different anodizing periods (10, 20, 30...

Among the modern oncological therapies, one of the most promising is based on tumor hyperthermia with magnetic nanoparticles resulting from the crystallization of iron and cobalt oxides. We synthesized core–shell magnetic nanoparticles of perch...

In this study, we investigated the impact of micro- and nano-sized barium oxide addition on the radiation-shielding properties of red clay tiles mixed with waste marble and different sizes of BaO (micro- or nanoparticles) for comparative analysis. Th...

In this study, a special triangular defect (TD) was identified on 4H-SiC epitaxial wafers. The morphology and composition characteristics of these special TDs were revealed by Raman, atomic force microscope (AFM), and scanning electron microscope (SE...

Grain size distribution after the completion of a phase transformation was studied through the laboratory-controlled hot-plastic deformation of dual phase 600 (DP 600) steel using a specially prepared asymmetric single-pass hot-rolling wedge test wit...

Spectroscopic and thermoactivation methods were used to study the processes of accumulation of electron and hole trapping centers and energy transfer of electronic excitations to impurities in ${\mathrm{C}\mathrm{a}\mathrm{S}\mathrm{O}}_4\text{-}\mathrm{M}\mathrm{n}$ and ${\mathrm{B}\mathrm{a}\mathrm{S}\mathrm{O}}_4\text{-}\mathrm{M}\mathrm{n}$. It is shown that electronic trappi...

Due to the increasing depletion of petroleum resources, the production route of non-oil-based aviation kerosene has been paid more and more attention. In this regard, the process of preparing aviation kerosene from syngas (CO and H₂) is one of the mo...