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34 积分 2025-04-09 加入
Density functional theory based comparative study of electronic structures and magnetic properties of spinel ACr2O4 (A = Mn, Fe, Co, Ni) compounds
1天前
已完结
Surface modification of MCr2O4 (M = Mg and Zn) by Cu-Doping: Theoretical prediction and experimental observation of enhanced catalysis for CO oxidation
1天前
已完结
Surface Modification of Mcr2o4 (M = Mg and Zn) by Cu-Doping: Theoretical Prediction and Experimental Observation of Enhanced Catalysis for Co Oxidation
1天前
已关闭
Interaction of CO and NO with the spinel CuCr2O4 (100) surface: A DFT study
1天前
已完结
Theoretical insight into oxidation catalysis of chromite spinel MCr2O4 (M = Mg, Co, Cu, and Zn): Volcano plot for oxygen-vacancy formation and catalytic activity
1天前
已完结
Multi-Task Mixture Density Graph Neural Networks for Predicting Cu-based Single-Atom Alloy Catalysts for CO2 Reduction
19天前
已完结
ZnFe2O4 Magnetic Material: A Comparative DFT and DFT + U Study
26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
26天前
已完结
The Microstructural Engineering of NiCo2O4 Spinel Oxides and Their Catalytic Application in Methane Emission Abatement
29天前
已完结
Machine-Learning-Guided Prediction of CO Adsorption Energetics for the Rational Design of Methanol Oxidation Catalysts
1个月前
已完结
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