First-Principles Study of the Ligand Substituent Effect on ORR Catalysis by Metallocorroles

Engineering & Materials Science

• Catalysis 83%
• Catalyst activity 15%
• Catalysts 21%
• Density functional theory 18%
• Experiments 4%
• Free energy 14%
• Gases 7%
• Ligands 83%
• Metals 16%
• Oxygen reduction reaction 100%
• Platinum 14%
• Proton exchange membrane fuel cells (PEMFC) 13%
• Reaction intermediates 22%
• Set theory 8%
• Substitution reactions 24%

Physics & Astronomy

• catalysis 72%
• catalysts 23%
• catalytic activity 16%
• density functional theory 9%
• electrolytes 10%
• energy 3%
• free energy 10%
• fuel cells 14%
• imidazoles 18%
• ligands 63%
• membranes 9%
• metals 12%
• oxygen 37%
• performance 5%
• platinum 12%
• polymers 7%
• reaction intermediates 37%
• substitutes 19%
• vapor phases 10%

Chemical Compounds

• Catalysis 40%
• Catalyst 10%
• Corrole 17%
• Corroles 18%
• Density Functional Theory 7%
• Dioxygen 30%
• Energy 5%
• Environment 14%
• Gibbs Free Energy 9%
• Imidazole 10%
• Ligand 27%
• Metal 5%
• Platinum-Group Metal 16%
• Reaction Intermediate 13%
• Reduction 28%
• Solvent 11%
• Substituent Effect 63%
• Substitution Reaction 15%