First-Principles Modeling of Electrochemical Water Oxidation on MnO:ZnO(001)

Engineering & Materials Science

• Oxidation 100%
• Quantum theory 82%
• Hematite 81%
• Water 61%
• Reaction intermediates 50%
• Transition metal oxides 48%
• Hydrogen 45%
• Manganese oxide 45%
• Binding energy 44%
• Photocatalysts 43%
• Density functional theory 42%
• Vacuum 25%
• Catalysts 23%
• Electrodes 21%

Chemical Compounds

• Quantum Mechanics 65%
• Hematite 61%
• Oxidation Reaction 51%
• Alloy 39%
• Reaction Intermediate 29%
• Hydrogen 28%
• Binding Energy 24%
• Vacuum 22%
• Error 21%
• Density Functional Theory 17%
• Behavior as Electrode 14%
• Catalyst 11%
• Time 10%