Density functional theory study on the role of ceria addition in Ti _xCe _1-xO ₂ adsorbents for thiophene adsorption

Engineering & Materials Science

• Thiophene 100%
• Density functional theory 90%
• Titanium dioxide 78%
• Cerium oxide 76%
• Adsorbents 72%
• Adsorption 58%
• Oxygen 16%
• Interfacial energy 12%
• Desulfurization 11%
• Hydrocarbons 8%
• Liquids 6%

Physics & Astronomy

• adsorbents 77%
• thiophenes 76%
• anatase 65%
• density functional theory 46%
• adsorption 46%
• hydrocarbon fuels 14%
• liquid fuels 13%
• oxygen 12%
• energy of formation 10%
• surface energy 9%
• flat surfaces 9%
• energy 2%

Chemical Compounds

• Thiophene 55%
• Titanium Dioxide 49%
• Adsorbent 44%
• Adsorption 29%
• Surface 16%
• Desulfurization 10%
• Adsorption Energy 10%
• Interfacial Energy 9%
• Dioxygen 9%
• Fuel 8%
• Hydrocarbon 7%
• Density Functional Theory 6%
• Liquid 5%
• Purity 5%
• Energy 4%