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26 积分 2025-04-09 加入
Multi-Task Mixture Density Graph Neural Networks for Predicting Cu-based Single-Atom Alloy Catalysts for CO2 Reduction
19小时前
已完结
ZnFe2O4 Magnetic Material: A Comparative DFT and DFT + U Study
7天前
已完结
Revealing the crucial role of dissociated product NO2 in RDX catalyzed by metal oxides: A combined DFT and experimental study
7天前
已完结
The Microstructural Engineering of NiCo2O4 Spinel Oxides and Their Catalytic Application in Methane Emission Abatement
10天前
已完结
Machine-Learning-Guided Prediction of CO Adsorption Energetics for the Rational Design of Methanol Oxidation Catalysts
14天前
已完结
Adsorption or deoxidation of H2 interacted with Fe3O4 surface under different H coverage: A DFT study
14天前
已完结
Atomic Pathways of Ammonia-Driven Fe3O4 Reduction Revealed by First-Principles Calculations
1个月前
已完结
Effect of copper source on the structure–activity of CuAl2O4 spinel catalysts for CO hydrogenation
1个月前
已完结
Strongly Coupled Cobalt Diselenide Monolayers for Selective Electrocatalytic Oxygen Reduction to H2O2 under Acidic Conditions
1个月前
已完结
Understanding Advanced Transition Metal‐Based Two Electron Oxygen Reduction Electrocatalysts from the Perspective of Phase Engineering
1个月前
已完结
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