A first principles analysis of the electro-oxidation of CO over Pt(1 1 1)

Keyphrases

• CO Oxidation 100%
• Electrooxidation 100%
• First-principles Analysis 100%
• Reaction Energy 50%
• Water Activation 50%
• Adsorbed CO 50%
• First-principles 25%
• Density Functional Calculations 25%
• Activation Barrier 25%
• Free Energy 25%
• Electrode Potential 25%
• Double Layer 25%
• Lowest Energy State 25%
• Half-cell 25%
• Surface OH Groups 25%
• Constant Potential 25%
• Adsorbed Species 25%
• Double Reference 25%
• Reaction Energy Profile 25%
• Detailed Reaction 25%

Chemistry

• First Principle 100%
• Electrooxidation 100%
• Energy State 50%
• electrode 50%
• Free Energy 50%