Ab Initio Simulation of the Absorption Spectra of Photoexcited Carriers in TiO₂ Nanoparticles

Engineering & Materials Science

• Absorption spectra 100%
• TiO2 nanoparticles 98%
• Electrons 68%
• Optical transitions 57%
• Conduction bands 23%
• Absorption spectroscopy 20%
• Density functional theory 20%
• Titanium dioxide 17%
• Electron energy levels 15%
• Energy gap 15%
• Water 7%

Physics & Astronomy

• absorption spectra 50%
• optical transition 47%
• nanoparticles 46%
• sheds 30%
• electrons 28%
• simulation 26%
• electron states 24%
• anatase 24%
• absorption spectroscopy 21%
• conduction bands 19%
• energy levels 18%
• density functional theory 17%
• traps 17%
• energy 13%
• water 12%

Chemical Compounds

• Absorption Spectrum 49%
• Optical Transition 46%
• Simulation 43%
• Electron Particle 37%
• Nanoparticle 34%
• Shallow Trap 28%
• Energy 24%
• Hole (Electron) 20%
• Conduction Band 18%
• Absorption Spectroscopy 16%
• Titanium Dioxide 14%
• Band Gap 12%
• Density Functional Theory 10%
• Time 6%