Structure and chemical activity of transition metal and metal oxide catalysts: An insight from theoretical DFT studies

Chemistry

• Titanium Dioxide 100%
• Selective Oxidation 33%
• Structure 25%
• Nitrogen 16%
• Transition Element 16%
• Density Functional Theory 16%
• Oxygen Vacancy 16%
• Doping 16%
• Carbon 16%
• Adsorption 16%
• Catalyst 16%
• Metal Oxide 16%
• Oxidation Reaction 8%
• Oxygen Atom 8%
• Carbon Monoxide 8%
• H Group 8%
• Nonmetal 8%
• Water Type 8%
• Surface 8%
• Interstitial 8%

Material Science

• Catalyst 16%
• Vacancy 16%
• Surface 8%