Anatase nanoparticle surface reactivity in NaCl media: A CD-MUSIC model interpretation of combined experimental and density functional theory studies

Engineering & Materials Science

• Density functional theory 100%
• Charge distribution 97%
• Titanium dioxide 87%
• Protons 80%
• Complexation 73%
• Sodium chloride 70%
• Nanoparticles 66%
• Particle size 63%
• Ionic strength 34%
• Titration 31%
• Crystals 22%
• Capacitance 19%
• Geometry 13%
• Temperature 8%

Physics & Astronomy

• anatase 72%
• reactivity 66%
• charge distribution 66%
• density functional theory 51%
• nanoparticles 45%
• protons 32%
• titration 20%
• charging 15%
• aqueous solutions 15%
• solid solutions 13%
• capacitance 13%
• simulation 12%
• slopes 12%
• valence 12%
• geometry 9%
• curves 9%
• crystals 8%
• temperature 4%

Chemistry

• Titanium Dioxide 55%
• Proton 43%
• Nanoparticle 33%
• Electric Double Layer 28%
• pH Value 28%
• Simulation 28%
• Density Functional Theory 27%
• Potentiometric Titration 23%
• Surface 21%
• Valence 19%
• Ionic Strength 17%