Examining the redox and formate mechanisms for water-gas shift reaction on Au/CeO2 using density functional theory

Engineering & Materials Science

• Density functional theory 100%
• Water gas shift 90%
• Oxidation-Reduction 87%
• Cerium oxide 85%
• Adsorption 48%
• Oxygen 40%
• Oxides 28%
• Discrete Fourier transforms 18%
• Catalysts 14%
• Decomposition 12%
• Metals 10%

Physics & Astronomy

• formates 93%
• density functional theory 51%
• shift 40%
• adsorption 38%
• water 38%
• cleavage 34%
• gases 34%
• oxygen 30%
• oxides 20%
• catalysts 15%
• decomposition 12%
• metals 8%

Chemical Compounds

• Water Gas Shift Reaction 78%
• Formate 67%
• Density Functional Theory 41%
• Adsorption 24%
• Dioxygen 24%
• Cleavage 23%
• Surface 21%
• Oxide 18%
• Decomposition 10%
• Metal 7%
• Catalyst 6%