Effects of radical site location and surface doping on the radical chain-reaction on H-Si(100)-(2 × 1): A density functional theory study

Engineering & Materials Science

• Density functional theory 100%
• Doping (additives) 74%
• Molecules 65%
• Butadiene 58%
• Oxides 57%
• Dimers 50%
• Propylene 38%
• Ethylene 34%
• Silicon 26%
• Substrates 23%
• Sulfides 19%
• Activation energy 17%

Physics & Astronomy

• density functional theory 51%
• butadiene 46%
• propylene oxide 40%
• ethylene oxide 33%
• thiols 33%
• molecules 28%
• selectivity 25%
• dimers 24%
• silicon 14%
• sulfides 14%
• tendencies 11%
• activation energy 9%
• kinetics 8%

Chemical Compounds

• 100-2 92%
• Chain Reaction 66%
• Oxide 36%
• Propene 27%
• Molecule 23%
• Surface 21%
• Sulfide 13%
• Reaction Activation Energy 11%