DFT Study on the Catalytic Activity of ALD-Grown Diiron Oxide Nanoclusters for Partial Oxidation of Methane to Methanol

Physics & Astronomy

• catalytic activity 100%
• nanoclusters 85%
• methyl alcohol 79%
• methane 71%
• density functional theory 59%
• oxidation 56%
• oxides 48%
• oxygen 37%
• regeneration 17%
• iron oxides 16%
• cleavage 15%
• electron transfer 15%
• molecular orbitals 15%
• catalysts 14%
• acids 13%
• desorption 13%
• decomposition 11%

Chemical Compounds

• Methane 61%
• Methanol 47%
• Oxide 41%
• Dioxygen 22%
• Density Functional Theory 19%
• Oxygen Radical 19%
• Iron Oxide 14%
• Molecular Orbital 14%
• Oxidation Reaction 13%
• Desorption 11%
• Electron Transfer 10%
• Cleavage 10%
• Decomposition 9%
• Reduction 7%
• Catalyst 6%