Journal of Materials Science Materials in Electronics, Journal Year: 2025, Volume and Issue: 36(12)
Published: April 1, 2025
Language: Английский
Journal of Materials Science Materials in Electronics, Journal Year: 2025, Volume and Issue: 36(12)
Published: April 1, 2025
Language: Английский
Journal of environmental chemical engineering, Journal Year: 2025, Volume and Issue: unknown, P. 115414 - 115414
Published: Jan. 1, 2025
Language: Английский
Citations
1ChemistrySelect, Journal Year: 2025, Volume and Issue: 10(5)
Published: Jan. 29, 2025
Abstract The extensive use of synthetic dyes in a variety sectors, including textiles, leather, food, and paints are resulted substantial environmental issues due to their persistence toxicity water bodies. Moreover, about twenty forty gallons is used for two pounds fabric conventional textile industries around the globe. Hence, it vital develop effective fast catalytic dye removal methods or devices. Citrullus lanatus rind primarily researched its from aqueous solution. ZnS nanocrystals well known photocatalytic property remove dyes. In this research, extracted was investigating Remazol Black dye. said increase heart rate cause eye problems humans. using green synthesis work focuses on goal contributing long‐term successful treatment solutions. generated were validated UV–vis spectroscopy, indicating formation nanoparticles. presence polyphenolic groups responsible reducing metal sulfide nanoparticles verified FTIR spectroscopy. Transmission electron microscopy (TEM) research indicated that produced had morphology with mean size roughly 6 nm. impact removing examined, phenomenal clearance efficiency 99.8% achieved min. rapid decomposition attributable chemisorption process, demonstrating honey‐hump‐like nanocrystal potential as useful catalysts ecological cleanup purposes.
Language: Английский
Citations
0The Journal of Physical Chemistry C, Journal Year: 2025, Volume and Issue: unknown
Published: March 26, 2025
Generative models for 2D materials have shown significant promise in accelerating the material discovery process. The stability and performance of these are strongly influenced by their underlying symmetry. However, existing generative often neglect symmetry constraints, leading to a tendency generate overly complex, low-symmetry structures. Here, we introduce symmetry-constrained diffusion model (SCDM) that integrates space group into By incorporating Wyckoff positions, ensures adherence principles, generation 2,000 candidate DFT calculations were conducted evaluate energy above convex hull (Ehull) structures after structural relaxation. From generated samples, 843 met criteria (Ehull < 0.6 eV/atom) identified. Among these, six candidates selected further analysis, including phonon band structure evaluations electronic property investigations, all which exhibited spectrum stability. To benchmark SCDM, symmetry-unconstrained was also evaluated via crystal prediction, with detailed comparisons revealing key advantages constraints. results highlight constraints enhances effectiveness materials, contributing through modeling.
Language: Английский
Citations
0Journal of Materials Science Materials in Electronics, Journal Year: 2025, Volume and Issue: 36(12)
Published: April 1, 2025
Language: Английский
Citations
0