Hole localization and thermochemistry of oxidative dehydrogenation of aqueous rutile TiO_²(110)

Engineering & Materials Science

• Thermochemistry 100%
• Dehydrogenation 84%
• Free energy 36%
• Deprotonation 30%
• Water 24%
• Density functional theory 22%
• Acidity 20%
• Ionization 19%
• Molecular dynamics 17%
• Chemical activation 13%
• Oxidation 13%
• Costs 5%

Physics & Astronomy

• thermochemistry 86%
• dehydrogenation 78%
• rutile 63%
• water 25%
• free energy 24%
• acidity 20%
• activation 12%
• density functional theory 11%
• costs 11%
• oxidation 11%
• molecular dynamics 10%
• ionization 10%
• energy 8%

Chemical Compounds

• Oxidative Dehydrogenation 71%
• Thermochemistry 71%
• Rutile 59%
• Gibbs Free Energy 22%
• Energy 14%
• Deprotonation 14%
• Ionization 12%
• Molecular Dynamics 11%
• Density Functional Theory 9%
• Oxidation Reaction 6%