Different reactivities of TiO₂ polymorphs: comparative DFT calculations of water and formic acid adsorption at anatase and brookite TiO₂ surfaces

Engineering & Materials Science

• Formic acid 100%
• Titanium dioxide 87%
• Polymorphism 84%
• Discrete Fourier transforms 73%
• Adsorption 65%
• Density functional theory 50%
• Water 36%
• Molecules 32%

Physics & Astronomy

• formic acid 95%
• anatase 72%
• reactivity 66%
• adsorption 51%
• water 38%
• density functional theory 25%
• molecules 17%

Chemical Compounds

• Formic Acid 59%
• Titanium Dioxide 55%
• Density Functional Theory 41%
• Adsorption 32%
• Block Like Crystal 22%
• Surface 21%
• Molecule 5%
• Application 5%