A density functional theory and experimental study of CO ₂ interaction with brookite TiO ₂

Engineering & Materials Science

• Density functional theory 100%
• Charge transfer 42%
• Titanium dioxide 29%
• Molecules 21%
• Oxygen 18%
• Oxygen vacancies 17%
• Charge density 15%
• Fourier transform infrared spectroscopy 13%
• Catalysts 9%

Physics & Astronomy

• density functional theory 51%
• charge transfer 28%
• interactions 26%
• anatase 24%
• oxygen 20%
• molecules 11%
• catalysts 10%
• infrared spectroscopy 10%
• reflectance 7%
• augmentation 6%

Chemical Compounds

• Density Functional Theory 41%
• Charge Transfer 23%
• Surface 21%
• Titanium Dioxide 18%
• Slab Like Crystal 12%
• Charge Density 10%
• Reduction 10%
• Electron Spin 9%
• Molecule 7%
• Molecular Cluster 7%
• Modification 6%
• Dioxygen 5%
• Catalyst 4%