Multilevel Computational Studies Reveal the Importance of Axial Ligand for Oxygen Reduction Reaction on Fe-N-C Materials

Chemistry

• Oxygen Reduction Reaction 100%
• Electron Transport 33%
• Electron Transfer 33%
• Density Functional Theory 16%
• Molecular Dynamics 16%
• Transition Element 16%
• Reaction Intermediate 16%
• Transfer Reaction 16%
• Transfer Process 16%
• Redox Potential 16%
• Fuel Cell Applications 16%

Material Science

• Electron Transfer 100%
• Density 50%
• Transition Metal 50%
• Surface Charge 50%
• Transfer Process 50%

Keyphrases

• Fe-N-C Materials 100%
• Process Thermodynamics 16%
• Surface Charge Effect 16%
• Active Site Model 16%