Combined experimental and density functional theory (DFT) studies on the catalyst design for the oxidative coupling of methane

Engineering & Materials Science

• Density functional theory 100%
• Methane 62%
• Catalysts 56%
• Electronic structure 39%
• Adsorption 26%
• Praseodymium 24%
• Oxygen vacancies 20%
• Volcanoes 20%
• Neodymium 19%
• Catalyst selectivity 19%
• Perovskite 18%
• Catalyst activity 16%
• Doping (additives) 14%
• Oxidation 11%
• Oxygen 10%
• Metals 8%
• Experiments 4%

Physics & Astronomy

• catalysts 62%
• methane 61%
• density functional theory 51%
• selectivity 25%
• adsorption 20%
• electronic structure 20%
• volcanoes 19%
• praseodymium 17%
• catalytic activity 17%
• oxygen 16%
• neodymium 15%
• energy of formation 13%
• perovskites 11%
• oxidation 9%
• metals 6%
• energy 3%

Chemical Compounds

• Methane 53%
• Catalyst 27%
• Electronic State 19%
• Density Functional Theory 16%
• Adsorption Energy 13%
• Dioxygen 13%
• Doping Material 11%
• Hydrogen Bond 8%
• Adsorption 6%
• Energy 6%
• Oxidation Reaction 6%
• Metal 6%
• Surface 4%