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Textural characteristics of composite adsorbents analyzed with density functional theory and self-consistent regularization procedure
Published 2020-05-01“…The pore size distribution (PSD) functions calculated using the DFT SCV/SCR method are compared to the PSD calculated for the same materials with the SCV/SCR method based on the modified BET/Kelvin equations (MND method) previously developed. …”
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3243
Enhancing Corrosion Resistance and Tribomechanical Characteristics of Powder Coatings via the Integration of Functionalized HF‐Free MXene Reinforcements
Published 2025-02-01“…Abstract MXene, a new generation of 2D materials, is gaining attention for anti‐corrosion applications due to its large surface area, electrical conductivity, and self‐healing properties. …”
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GAPF-DFT: A graph-based alchemical perturbation density functional theory for catalytic high-entropy alloys
Published 2025-04-01Get full text
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Technical review: Time-dependent density functional theory for attosecond physics ranging from gas-phase to solids
Published 2025-07-01“…We specifically review techniques employing time-dependent density functional theory (TDDFT) for investigating attosecond and strong-field phenomena. …”
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Development of objective test functions for modeling and sensitivity analysis of the mechanical behaviour of aluminum-agro-marine waste composites
Published 2024-01-01“…Aluminum-based composites reinforced with agro-marine waste materials present an eco-friendly, cost-effective solution for industries needing lightweight and durable materials. …”
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Dual‐Functional High‐Entropy Polymer Exhibiting Giant Cross‐Energy Couplings at Low Fields
Published 2025-06-01Get full text
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Functionally‐Graded Serrated Fangs Allow Spiders to Mechanically Cut Silk, Carbon and Kevlar Fibers
Published 2024-11-01“…Abstract Before humans and allegedly any animal group, spiders developed “functionally graded toothed blades” that cut one of the toughest biological materials: silk. …”
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