Chemical dynamics of the first proton-coupled electron transfer of water oxidation on TiO₂ anatase

Engineering & Materials Science

• Titanium dioxide 98%
• Protons 90%
• Electrons 75%
• Oxidation 66%
• Oxygen evolution reaction 57%
• Water 40%
• Proton transfer 27%
• Electronic states 24%
• Density functional theory 22%
• Molecular dynamics 16%
• Molecules 14%
• Ions 13%
• Catalysts 12%
• Oxygen 12%

Medicine & Life Sciences

• titanium dioxide 100%
• Protons 77%
• Electrons 60%
• Water 50%
• Oxygen 32%
• Density Functional Theory 26%
• Molecular Dynamics Simulation 16%
• Ions 12%

Chemical Compounds

• Titanium Dioxide 62%
• Electron Transfer 52%
• Oxidation Reaction 33%
• Dioxygen 21%
• Slab Like Crystal 17%
• Proton Transfer 13%
• Sphere 12%
• Molecular Dynamics 11%
• Electronic State 11%
• Energy 7%
• Solvent 7%
• Ion 5%
• Molecule 5%