First-principles-based kinetic Monte Carlo simulation of nitric oxide reduction over platinum nanoparticles under lean-burn conditions

Engineering & Materials Science

• Nitric oxide 100%
• Platinum 85%
• Nanoparticles 72%
• Particle size 54%
• Oxidation 51%
• Binding energy 23%
• Surface diffusion 22%
• Adsorbates 21%
• Density functional theory 21%
• Kinetic parameters 17%
• Activation energy 15%
• Chemical activation 13%
• Oxygen 11%

Chemical Compounds

• Platinum Nanoparticle 85%
• Monte Carlo Method 77%
• Nitric Oxide 69%
• Reduction 33%
• Oxidation Reaction 26%
• Nanoparticle 21%
• Surface Diffusion 18%
• Surface 13%
• Binding Energy 12%
• Pharmacokinetics 11%
• Platinum 10%
• Reaction Activation Energy 10%
• Shape 9%
• Molecular Cluster 9%
• Simulation 9%
• Density Functional Theory 9%
• Diffusion 8%
• Dioxygen 7%
• Energy 6%
• Amount 6%