1682 papers
This paper presents a deep learning framework that enhances property prediction for OLED materials under data scarcity by integrating human eye-tracking data to construct an interpretable, human-mimicking attention mechanism capable of achieving near-DFT accuracy in predicting molecular orbital distributions.
This study demonstrates that chemically activating coconut rachis-derived hard carbon to create hierarchically porous activated carbon significantly enhances specific surface area and electrochemical performance, yielding a supercapacitor electrode with a maximum specific capacitance of 201 F g⁻¹ and excellent cycling stability in 6 M KOH.
By employing ionic liquid-induced structural distortion to create nitrogen-vacancy coordination fields in graphitic carbon nitride, researchers modulated the electronic structure of La-O subnanoclusters to enhance d-π* back-donation, thereby significantly boosting the yield and selectivity of glycerol carbonate production.
This study combines in situ FTIR experiments and DFT calculations to reveal that the oxidative dehydrogenation of propane over monolayer V2O5/TiO2 proceeds via two distinct pathways initiated by either vanadyl oxygen or surface hydroxyl groups, with the latter being thermodynamically more favorable.
This study establishes a process–microstructure–property relationship for binder-jetted AISI D2 tool steel by identifying an optimal sintering temperature of 1,250 °C that achieves near-complete densification, which, when combined with subsequent heat treatment, significantly enhances mechanical performance through martensitic transformation and lattice strain homogenization.
This study demonstrates that an argon-calcined, off-stoichiometric Na₃.₆₄Ni₂.₁₈(P₂O₇)₂ cathode synthesized via combustion exhibits superior electrochemical performance in aqueous sodium-ion capacitors, achieving high energy and power densities with excellent cycle stability, a finding further validated by COMSOL Multiphysics simulations of its charge-storage kinetics.
This study presents a colorimetric/chemiluminescent vertical flow immunoassay utilizing glutathione-protected cobalt–gold bimetallic nanoclusters as multifunctional catalytic probes for sensitive Brucella antibody detection, which is further enhanced by deep learning-based semiquantitative analysis to achieve high accuracy and standardized interpretation in clinical samples.
This study develops a sustainable, high-performance biomass supercapacitor electrode by synthesizing FeCl₃-MoS₂ co-modified hierarchical porous carbon from moso bamboo powder, which achieves superior energy storage through synergistic effects of a 3D interconnected micro-mesoporous framework, abundant redox-active sites, and enhanced electron transport.
This paper presents a recyclable MnO₂-catalyzed hydrothermal strategy that achieves high-value regeneration of spent LiFePO₄ cathodes by synchronously compensating lithium and reducing iron to restore crystal structure, resulting in electrochemical performance comparable to pristine materials while offering a sustainable and low-cost recycling solution.
This study demonstrates that Zn- and Sr-doped MgO nanoparticles synthesized via a green *Solanum torvum* leaf-mediated route exhibit significantly enhanced visible-light photocatalytic activity for methylene blue degradation, with Zn-doped MgO showing superior performance due to bandgap narrowing and reduced electron-hole recombination.