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Crystals
Scopus
ISSN 2073-4352 · MDPI AG · 10.842 artikel di indeks
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Pb-Apatite Framework as a Generator of Novel Flat-Band CuO-Based Physics
Based upon density functional theory (DFT) calculations, we present the basic electronic structure of CuPb9(PO4)6O (Cu-doped lead apatite, aka LK-99), in two scenarios: (1) where the structure is constrained to the P3 symmetry and (2) where no symmetry is imposed. At the DFT level, the former is…
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Design and Characterization of Ceritinib Eutectic Solvent Systems for Pharmaceutical Formulation
One of the main challenges facing the pharmaceutical industry today is the low solubility of active pharmaceutical ingredients (APIs), which leads to low bioavailability, reduced therapeutic efficacy, and the need for higher drug doses. Eutectic solvents (ES) offer a promising solution by…
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Spatially Selective Boundary Oscillation for Defect Structures Control in Two-Dimensional Liquid Crystal Confinement
Modulating boundary conditions offers a powerful approach to generate and control topological defects, which govern the structure and dynamics of liquid crystals. Here, we employ Langevin dynamics simulations to study defect structure formation in two-dimensional colloidal liquid crystals confined…
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Coupled Effects of Mg/Si Ratio and Recrystallization on Strength and Electrical Conductivity in Al-xMg-0.5Si Alloys
The strategic balance between strength and electrical conductivity in Al-Mg-Si alloys is a critical challenge that must be overcome to enable their widespread adoption as viable alternatives to copper conductors in power transmission systems. To address this, the present study comprehensively…
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A Fast-Response Vertical-Alignment In-Plane-Switching-Mode Liquid Crystal Display
Fast-response liquid crystal (LC) displays have attracted attention for use as gaming displays with high frame rate and field-sequential displays. This work presents an LC display mode with vertical alignment and horizontal electric field driving, which achieves millisecond-scale response time. The…
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Morphological Evolution of Nickel–Fullerene Thin Film Mixtures
Hybrid systems consisting of metal–fullerene composites exhibit intriguing properties but often suffer from thermal instability. With proper control, such instability can be harnessed to enable the formation of sophisticated nanostructures with nanometric precision. These self-organization…
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Structure-Related Properties in AlP Nanoparticles Across One- and Two-Dimensional Architectures
A systematic density functional theory (DFT) and time-dependent DFT (TD-DFT) investigation of aluminum phosphide (AlxPx) nanoparticles with diverse dimensionalities and geometries is presented. Starting from a cubic-like Al4P4 building block, a series of one-dimensional (1D) elongated…
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Effect of Titanium Content and Mechanical Alloying Time on the Formation of Nanocrystalline Solid Solutions in the Ni–Al–Ti System
This work investigates the effect of titanium content and the duration of mechanical alloying on the structural and phase state of powder mixtures in the Ni–Al–Ti system. The initial mixtures of Ni68Al25Ti7, Ni72Al22Ti6, Ni70Al21Ti9, and Ni75Al25 were subjected to high-energy milling in a planetary…
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Tailoring the Microstructure and Mechanical Properties of Laser Directed Energy–Deposited Inconel 718 Alloys via Ultrasonic Frequency Modulation
Ultrasonic-assisted laser-directed energy deposition (UA-DED) is a promising combined technology for manufacturing high-value thin-walled Inconel 718 components in aerospace. Nevertheless, the optimal ultrasonic frequency—a key parameter for achieving desirable performance in thin-walled Inconel…
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Effect of Stone Powder Content on the Properties and Microstructure of Nuclear Power-Manufactured Sand Concrete
Stone powder is an inevitable by-product generated during the processing of manufactured sand and gravel. Waste stone powder has been proven to affect concrete properties and has been applied in the transportation and hydropower fields. This study aims to convert waste granite stone powder (GP) to…
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Machine-Learning-Based Screening of Perovskite Cathodes for Low-Temperature Solid Oxide Fuel Cell Operation
The discovery of cathode materials that simultaneously exhibit high oxygen-reduction activity, robust stability, and low cost is pivotal to moving solid oxide fuel cells (SOFCs) from the laboratory into commercial deployment. To address this challenge, we compile the largest perovskite dataset to…
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Selenoether-Linked Liquid Crystal Trimers and the Twist-Bend Nematic Phase
Bent-shaped liquid crystal (LC) dimers, trimers, and oligomers are intriguing because of their unique liquid crystallinities, which have gained further impetus after the identification of the twist-bend nematic (NTB) phase in these molecules. LC trimers exhibiting the NTB phase still remain…
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Process Optimization and Performance Study of ZnO Nanowires Grown by the VLS Method
One-dimensional ZnO nanowires offer significant potential for optoelectronic applications, though their controlled synthesis remains challenging. This study optimized ZnO nanowire growth via carbothermal reduction vapor transport based on the vapor–liquid–solid mechanism. Key parameters…
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Recovery of Critical Metals from Waste-Printed Circuit Boards for Sustainable Energy Transition
It is undeniable that rapid population increase coupled with growing resource constraints are making the demand for smart and sustainable solutions more urgent than ever to secure future resources for the transition to sustainable energy production. To address these issues, it is necessary to…
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Al/Graphene Co-Doped ZnO Electrodes: Impact on CTS Thin-Film Solar Cell Efficiency
This study investigates pristine and doped ZnO thin films fabricated via the sol-gel technique, aiming to address efficiency challenges when used as transparent conductive oxide (TCO) layers in thin-film solar cells. ZnO was first doped with aluminum (Al), and subsequently with both Al and reduced…
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Transmissive Multilayer Geometric Phase Gratings Using Water-Soluble Alignment Material
Multilayer liquid crystal devices can offer enhanced optical functionalities for augmented reality and photonic applications, but fabrication remains severely limited by solvent incompatibility between photoalignment materials and underlying polymerized layers. Conventional photoalignment agents…
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Effect of Sandblasting, Tribochemical Silica Coating, CO2 Laser, and Plasma-Enhanced Chemical Vapor Deposition on Surface Characteristics and Shear Bond Strength of 3Y-TZP Zirconia
To evaluate the influence of different surface conditioning protocols—sandblasting (SB), tribochemical silica coating (TBC), CO2 laser irradiation, and plasma-enhanced chemical vapor deposition (PECVD-Si coating for 49 min) on surface roughness (Ra), surface morphology, and composite-to-zirconia…
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Sustainable Routes to a Soluble Anthelmintic Thiabendazole Organic Salt
A new organic salt of thiabendazole with p-toluenesulfonic acid was successfully synthesized by mechanochemistry. Notably, the same crystalline form and morphology were obtained both through neat grinding and liquid-assisted grinding using 4-methyltetrahydropyran, a sustainable solvent not yet…
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Synergistic Integration of Drop-Casting with Sonication and Thermal Treatment for Fabrication of MWCNT-Coated Conductive Cotton Fabrics
This study introduces a synergistic drop-casting, sonication, and thermal treatment (DSTT) method for fabricating multi-walled carbon nanotube (MWCNT)-coated conductive cotton fabrics. The process produced uniform MWCNT networks with a minimum sheet resistance of 0.072 ± 0.004 kΩ/sq. at ~30 wt.%…
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Machine Learning-Driven Prediction of Microstructural Evolution and Mechanical Properties in Heat-Treated Steels Using Gradient Boosting
Optimizing heat treatment processes requires an understanding of the complex relationships between compositions, processing parameters, microstructures, and properties. Traditional experimental approaches are costly and time-consuming, whereas machine learning methods suffer from critical data…
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