1639 papers
This study integrates experimental characterization and density functional theory to demonstrate that hydrogen uptake in both palladium foils and nanowires follows a unified mechanism where barrierless, exergonic migration from the surface to the bulk facilitates robust diffusion with a 0.123 eV barrier, regardless of the material's morphology.
This study demonstrates that zinc hydroxystannate (ZHS) catalysts, particularly those prepared via alkaline-assisted surface treatment (CPAST), effectively promote the direct carbonylation of glycerol with CO₂ to glycerol carbonate under mild conditions, with catalytic activity directly correlated to the surface basicity driven by Sn⁴⁺ reduction and oxygen vacancy formation.
This study demonstrates that a novel Triply-Periodic-Minimal-Surface (TPMS) flow reactor significantly enhances heat and mass transfer and reaction selectivity compared to traditional tubular reactors, offering a scalable solution for highly exothermic continuous flow processes through a validated numerical framework.
This study establishes a physics-guided screening framework that integrates density functional theory, microkinetic modeling, and interpretable machine learning to identify optimal NH* binding energy windows and discover high-performance Ru and Co catalysts for ammonia decomposition.
This study utilizes thermogravimetric analysis and the KAS kinetic method to characterize the multi-stage combustion behavior of raw and torrefied meadow hay, demonstrating how organic and inorganic additives influence the oxidation kinetics of its constituent components.
This study proposes an asymmetric surface charge engineering strategy using oppositely charged Ti3C2Tx-MXene electrodes to suppress self-discharge in supercapacitors by regulating interfacial ion diffusion, resulting in a device with significantly reduced leakage current and fourfold longer self-discharge time while maintaining high capacitive performance.
This study reports the on-surface synthesis of novel indigo-based Fe-porphyrinoids and quadruply fused porphyrinoid oligomers containing aromatic eight-membered rings on Au(111), utilizing Fe-coordination-driven isomerization to achieve regiospecific C–C coupling, as characterized by advanced microscopy and theoretical calculations.
This study reports the synthesis and statistical optimization of magnetic CoFe₂O₄@SiO₂PB@M (M = Ni or Cu) nanocatalysts, demonstrating their high efficiency, reusability, and superior performance in the mild oxidation of sulfides, particularly when copper is used as the active metal.
Inspired by the Single-Atom Nano-Islands concept, this study demonstrates that rationally engineering the metal-support interface of Pt/NiOx-SiO2 catalysts through optimized Pt loading and oxide support modification achieves superior activity and long-term stability in dry reforming of methane by balancing active site availability with strong metal-support interactions.
This paper presents a safe and scalable continuous-flow synthesis of the API ezutromid, featuring a telescoped oxidation-nitration sequence that efficiently converts 4-chlorobenzenethiol to 2-amino-4-(ethylsulfonyl) phenol while mitigating the hazards of these key transformations.