Theoretical analysis of the sequential proton-coupled electron transfer mechanisms for H₂ oxidation and production pathways catalyzed by nickel molecular electrocatalysts

Engineering & Materials Science

• Proton transfer 100%
• Electrocatalysts 84%
• Protons 65%
• Electrons 55%
• Nickel 50%
• Oxidation 48%
• Energy barriers 16%
• Free energy 13%
• Density functional theory 8%
• Ligands 7%
• Phosphorus 6%
• Atoms 5%
• Nitrogen 5%
• Electrodes 4%

Physics & Astronomy

• electrocatalysts 81%
• electron transfer 55%
• nickel 44%
• oxidation 40%
• protons 35%
• free energy 8%
• nitrogen atoms 6%
• energy sources 6%
• phenyls 6%
• ligands 5%
• phosphorus 5%
• density functional theory 4%
• cycles 3%
• electrodes 3%
• energy 1%

Chemical Compounds

• Proton Transfer 49%
• Electron Transfer 38%
• Oxidation Reaction 24%
• Energy Barrier 13%
• Electron Particle 11%
• Gibbs Free Energy 10%
• Proton 8%
• Reorganization Energy 8%
• Phosphorus Atom 7%
• pKa 7%
• Reduction Potential 7%
• Transfer Reaction 6%
• Nitrogen Atom 5%
• Density Functional Theory 4%
• Behavior as Electrode 3%
• Energy 3%
• Reduction 3%
• Ligand 3%