Periodic density functional theory studies of vanadia-titania catalysts: Structure and stability of the oxidized monolayer

Engineering & Materials Science

• Density functional theory 100%
• Monolayers 87%
• Titanium 64%
• Catalysts 56%
• Titanium dioxide 43%
• Atoms 17%
• Oxygen 13%
• Decomposition 12%
• Substrates 11%
• Experiments 5%

Physics & Astronomy

• catalysts 62%
• titanium 55%
• density functional theory 51%
• anatase 36%
• vanadates 22%
• slabs 14%
• decomposition 12%
• oxygen 10%
• atoms 8%

Chemical Compounds

• Monolayer 50%
• Catalyst 27%
• Surface 21%
• Slab Like Crystal 18%
• Hydroxyl 13%
• Titanium Dioxide 13%
• Decomposition 10%
• Dioxygen 8%