Density functional theory analysis of methanation reaction of CO ₂ on Ru nanoparticle supported on TiO₂ (1 0 1)

Engineering & Materials Science

• Density functional theory 100%
• Methanation 98%
• Nanoparticles 66%
• Energy barriers 43%
• Catalysts 32%
• Potential energy 31%
• Charge transfer 24%
• Hydrogenation 24%
• Atoms 19%
• TiO2 nanoparticles 13%
• Boundary conditions 7%

Chemical Compounds

• Potential Energy Barrier 42%
• Density Functional Theory 41%
• Reaction Path 20%
• Catalyst 15%
• Hydrogenation 14%
• Charge Transfer 13%
• Rate-Determining Step 9%
• Surface 9%
• Molecular Cluster 6%
• Chemical Transformation 6%