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Connecting metal-organic framework synthesis to applications using multimodal machine learning
Published 2025-07-01“…Utilizing this approach, we create a synthesis-to-application map for MOFs, offering insights into optimal material classes for diverse applications. …”
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Impact of Cetyl-Containing Ionic Liquids on Metal Halide Perovskite Structure and Photoluminescence
Published 2025-06-01“…Two different film deposition methods are compared, with the resultant films characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and photoluminescence (PL) spectroscopy. …”
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Interface effects in the phase determination of Hf0.5Zr0.5O2 epitaxial thin films
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Synthesis, crystal structure, spectroscopic characterization, in vitro, molecular docking and DFT studies of 1- (Tert-Butyl) 2-methyl (2S, 4R)-4-hydroxy pyrrolidine-1,2-dicarboxyla...
Published 2024-12-01“…The molecule crystallized in the orthorhombic space group P212121, identified by X-ray diffraction (XRD). Quantum chemical calculations were performed using DFT at the B3LYP/6–311++G (d,p) level. …”
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In situ surface modification by oleic acid of magnetite nanoparticles: surface interaction, structure, and its magnetic properties
Published 2025-07-01“…Superconducting Quantum Interference Device (SQUID) measurement showed that the nanoparticles have superparamagnetic-like property with temperature blocking of 279.94 K. …”
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Corrosion inhibition of steel in sulphuric acid using Ferula Assa foetida L. extract as an eco-friendly inhibitor: Experimental and computational study
Published 2025-03-01“…The corroded samples were studied using field emission scanning microscopy (FESEM) and X-ray diffraction (XRD) techniques with and without the inhibitor. …”
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Degradation of tetracycline in water using hydrogen peroxide activated by soybean residue-derived magnetic biochar
Published 2025-06-01“…The Fe-SoyB sample was characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), and superconducting quantum interference device (SQUID) techniques. …”
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Synthesis and Characterization of Potassium Titanyl Phosphate (KTiOPO4) Nanocrystals: The Impact of Hydrothermal and Co-Precipitation Methods with Oxalic Acid Capping Agent
Published 2025-01-01“…Such insights are crucial for optimizing the synthesis of KTP nanoparticles tailored for various applications in optical devices, photonics, and quantum technologies.…”
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Research Paper: Design and Fabrication of Flexible Graphene Electrode with Visible Laser
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High-resolution high-throughput spatiotemporal strain imaging reveals loss mechanisms in a surface acoustic wave device
Published 2025-03-01“…Here we use stroboscopic full-field diffraction x-ray microscopy to reveal an unanticipated acoustic loss in a prototypical one-port resonator device. …”
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Molecular modeling of the interaction of the dihydroquercetin and its metabolites with cyclooxygenase-2
Published 2019-10-01“…It gives an opportunity to optimize the quantum-mechanical calculation. By using in silico analysis, it was shown that DHQ and some of its metabolites demonstrate ability of binding to SER353, SER530, and ARG513 of COX-2 at the catalytic site.Conclusion. …”
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Synthesis, Spectral, Thermogravimetric, XRD, Molecular Modelling and Potential Antibacterial Studies of Dimeric Complexes with Bis Bidentate ON–NO Donor Azo Dye Ligands
Published 2013-01-01“…The thermogravimetric study indicates that compounds are quite stable. The energy optimized structures are proposed using the semiempirical ZINDO/1 quantum mechanical calculations. …”
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Photoluminescent delocalized excitons in donor polymers facilitate efficient charge generation for high-performance organic photovoltaics
Published 2025-04-01“…Combining optical spectroscopy, X-ray diffraction, and simulation, we show that D18 exhibits stronger π–π interactions and interchain packing compared to classic donor polymers, as well as higher external photoluminescence quantum efficiency (~26%). …”
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Synthesis and optical properties of LaSrGaO4:RE3+ (RE = Sm, Eu, Ho) single crystals via optical float zone method
Published 2025-02-01“…The advancement of synthesis of materials with luminescence properties of lanthanoid ions in various single crystalline host compounds with low phonon energies has facilitated the optimization of numerous materials to meet the specific optical properties required for diverse applications such as new energy resource exploration, light-emitting diodes (LEDs), quantum dot displays, laser technology, sensors, telecommunications, medical diagnostics and more. …”
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Simulation, development, and optical emission spectroscopy of microwave plasma chemical vapor deposition reactor for synthesis of large-area single crystal diamond
Published 2025-07-01“…The simulation results demonstrate the validation and advancement in the clamshell reactor geometry for the synthesis of high-quality and large-area single crystal diamonds for gem, semiconductor, and quantum applications.…”
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Visible Light Photo-Fenton with Hybrid Activated Carbon and Metal Ferrites for Efficient Treatment of Methyl Orange (Azo Dye)
Published 2025-04-01“…An efficient hybrid mixture, composed of FeCr quantum dots doped into mesoporous silica SBA-15 support and activated carbon (AC) derived from olive mill solid wastes, has been developed for treating high optical density polluted aqueous environments. …”
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