Structural and electronic properties of photoexcited TiO₂ nanoparticles from first principles

Engineering & Materials Science

• Electronic properties 100%
• Density functional theory 96%
• TiO2 nanoparticles 93%
• Structural properties 70%
• Polarons 42%
• Electrons 21%
• Excitons 18%
• Excited states 17%
• Photoluminescence 17%
• Charge carriers 16%
• Ground state 16%
• Titanium dioxide 14%
• Relaxation 10%
• Geometry 6%

Chemical Compounds

• Electronic Property 53%
• Polaron 40%
• Nanoparticle 32%
• Density Functional Theory 20%
• Excited Triplet State 18%
• Electron Particle 17%
• Time 17%
• Excited Singlet State 17%
• Exciton 16%
• Charge Carrier 15%
• Titanium Dioxide 13%
• Excited State 12%
• Ground State 12%
• Photoluminescence 12%

Physics & Astronomy

• density functional theory 49%
• nanoparticles 43%
• electronics 33%
• polarons 21%
• functionals 20%
• anatase 11%
• atomic energy levels 11%
• self consistent fields 10%
• excitation 10%
• charge carriers 9%
• electrons 9%
• excitons 8%
• trapping 8%
• photoluminescence 7%
• ground state 7%
• optimization 7%
• geometry 6%
• performance 4%