A density functional theory analysis of the reaction pathways and intermediates for ethylene dehydrogenation over Pd(111)

Engineering & Materials Science

• Density functional theory 100%
• Dehydrogenation 93%
• Ethylene 69%
• Binding energy 35%
• Chemical activation 29%
• Isomerization 16%
• Acetylene 15%
• Monolayers 14%
• Discrete Fourier transforms 12%
• Adsorption 10%
• Decomposition 8%
• Hot Temperature 5%

Physics & Astronomy

• dehydrogenation 86%
• ethylene 65%
• density functional theory 51%
• activation 26%
• binding energy 19%
• isomerization 12%
• acetylene 12%
• vinylidene 12%
• slabs 9%
• adsorption 8%
• decomposition 8%
• energy 3%

Chemical Compounds

• Dehydrogenation 61%
• Density Functional Theory 41%
• Binding Energy 19%
• Surface 14%
• Slab Like Crystal 12%
• Acetylene 10%
• Transition State 9%
• Isomerization 8%
• Monolayer 8%
• Ethyl 8%
• Decomposition 7%
• Adsorption 5%
• Energy 5%