1028 papers
This study demonstrates the synthesis and characterization of a novel sulfo- and amine-functionalized polyvinyl chloride sorbent that effectively removes radioactive iodine from wastewater, achieving a maximum adsorption capacity of 705 mg/g through a process best described by Langmuir isotherm and pseudo-second-order kinetic models.
This paper presents an automated, interpretable workflow that predicts crystal structures from chemical formulas by combining periodic-descriptor-based template retrieval with space-group probability predictions and a stoichiometry-aware substitution engine, significantly improving space-group match rates on benchmark databases.
This study presents a preliminary performance screening of four distinct bimetallic catalysts supported on cubic CeO₂ for CO₂ hydrogenation, identifying CuNi/CeO₂ as the top performer for CO₂ conversion and FeCu/CeO₂ for CO production, while explicitly noting that the results reflect formulation-level trends rather than intrinsic mechanistic effects due to variations in metal composition, ratios, and synthesis routes.
This study demonstrates an integrated and economically viable process for the efficient separation and purification of 2,3-butanediol from complex broths using an optimized isobutanol/potassium phosphate aqueous two-phase extraction system coupled with distillation, achieving over 98% recovery and enabling effective recycling of both solvent and salt.
This study demonstrates that coating polyethylene separators with hydroxyl-containing polyimide (HPI) microspheres via electrospraying significantly enhances thermal stability, electrolyte wettability, and electrochemical performance, with the 8 wt% HPI-coated separator achieving optimal lithium-ion transference and cycling stability.
This study demonstrates that selectively disrupting intramolecular hydrogen bonds in a redox-active layered metal-organic framework triggers proton-coupled charge transfer, thereby inducing a chemically controlled magnetic phase transition from paramagnetism to antiferromagnetism.
This study demonstrates that microalloying SAC305 lead-free solder with an optimal 0.2 wt.% cerium significantly refines its microstructure and enhances mechanical properties, including tensile strength, toughness, and hardness, while maintaining thermal stability compatible with conventional reflow soldering.
This study presents a poly(ionic liquid)-based ionogel that utilizes temperature-induced polymer network collapse to reversibly switch adhesion strength by approximately 60-fold, enabling versatile applications in robotic systems capable of climbing diverse vertical surfaces and carrying payloads exceeding their own weight.
This study systematically evaluates the convergence of atomic Ehrenfest forces calculated via pair density and stress tensor methods across various bonding types, revealing that the pair density approach is highly sensitive to basis-set size—potentially yielding qualitatively incorrect directions for ionic systems with small bases—while exhibiting weak dependence on the level of theory, a behavior that parallels Hellmann-Feynman forces due to their shared electron-nuclear origin.
This paper argues that weight-average molecular weight (Mw) and polydispersity metrics are artificial mathematical constructs that misrepresent the symmetric, thermodynamically balanced nature of polymer distributions, proposing instead that Number-Average Molecular Weight (Mn) alone should serve as the sole determinant for characterizing mechanical and rheological properties.