Characterization of paramagnetic species in N-doped TiO ₂ powders by EPR spectroscopy and DFT calculations

Engineering & Materials Science

• Density functional theory 100%
• Paramagnetic resonance 90%
• Spectroscopy 74%
• Nitrogen 61%
• Powders 54%
• Doping (additives) 31%
• Oxygen vacancies 29%
• Titanium dioxide 24%
• Impurities 18%
• Valence bands 17%
• Conduction bands 16%
• Sol-gels 12%
• X ray photoelectron spectroscopy 11%
• Energy gap 10%
• Atoms 9%
• Annealing 9%
• Oxygen 7%
• Temperature 3%
• Costs 3%

Physics & Astronomy

• electron paramagnetic resonance 60%
• density functional theory 51%
• nitrogen 49%
• characterization 37%
• spectroscopy 34%
• anatase 20%
• oxygen 17%
• interstitials 16%
• synthesis 13%
• impurities 12%
• conduction bands 8%
• photoelectron spectroscopy 7%
• gels 7%
• costs 7%
• valence 6%
• preparation 6%
• atmospheres 6%
• shift 5%
• annealing 5%
• energy 5%
• matrices 5%
• atoms 4%
• excitation 4%
• x rays 4%
• temperature 2%

Chemical Compounds

• EPR Spectroscopy 58%
• Density Functional Theory 41%
• Nitrogen 40%
• Interstitial 23%
• Titanium Dioxide 18%
• Dioxygen 16%
• ESR-hyperfine Coupling Constant 14%
• Valence Band 12%
• Conduction Band 12%
• Energy 10%
• Annealing 8%
• Band Gap 8%
• X-Ray Photoelectron Spectroscopy 7%
• Purity 5%
• Reduction 5%