Modeling the structure and electronic properties of Ti O2 nanoparticles

Engineering & Materials Science

• Electronic properties 100%
• Nanoparticles 63%
• Density functional theory 32%
• Atoms 22%
• Electrons 21%
• Surface relaxation 21%
• Titanium dioxide 14%
• Geometry 6%

Chemical Compounds

• Electronic Property 53%
• Nanoparticle 32%
• Surface Relaxation 20%
• Tight-Binding Method 19%
• Electron Localization 17%
• Density Functional Theory 16%
• Nanoparticle Size 14%
• Titanium Dioxide 10%
• Electron Particle 7%

Physics & Astronomy

• nanoparticles 43%
• electronics 33%
• density functional theory 16%
• anatase 11%
• atoms 10%
• contraction 10%
• electrons 9%
• trends 8%
• optimization 7%
• geometry 6%