Direct Evidence of Chelated Geometry of Catechol on TiO₂ by a Combined Solid-State NMR and DFT Study

Engineering & Materials Science

• Density functional theory 100%
• Nuclear magnetic resonance 80%
• Molecules 52%
• Geometry 40%
• Adsorption 26%
• Protonation 24%
• Conduction bands 22%
• Chemical shift 22%
• Absorption spectra 19%
• Charge injection 19%
• Charge transfer 17%
• Solar cells 14%
• Electrons 13%
• Titanium 12%
• Polarization 12%
• Semiconductor materials 11%
• Oxides 11%
• Substrates 9%
• Metals 8%
• Experiments 4%

Physics & Astronomy

• nuclear magnetic resonance 53%
• density functional theory 51%
• solid state 50%
• geometry 37%
• molecules 28%
• adsorption 20%
• cross polarization 16%
• characterization 14%
• chemical equilibrium 14%
• metal oxides 12%
• charge transfer 11%
• conduction bands 11%
• titanium 11%
• absorption spectra 9%
• solar cells 9%
• injection 9%
• kinetics 8%
• predictions 7%
• excitation 6%
• electrons 5%
• interactions 5%

Chemical Compounds

• Catechol 67%
• NMR Spectroscopy 45%
• 13C CP/MAS 16%
• Cross Polarization 14%
• Slab Like Crystal 12%
• Conduction Band 12%
• Molecule 11%
• Adsorption 10%
• Solar Cell 9%
• Metal Oxide 9%
• Chemical Shift 9%
• Semiconductor 8%
• Charge Transfer 7%
• Surface 7%
• Density Functional Theory 6%
• Electron Particle 6%