Selective Hydrogenation of Acetylene over Pd-Boron Catalysts: A Density Functional Theory Study

Engineering & Materials Science

• Density functional theory 100%
• Acetylene 90%
• Hydrogenation 84%
• Boron 75%
• Catalysts 56%
• Ethylene 31%
• Butadiene 8%
• Desorption 8%
• Hydrogen 5%
• Carbon 5%

Physics & Astronomy

• acetylene 75%
• hydrogenation 73%
• catalysts 62%
• boron 57%
• density functional theory 51%
• ethylene 28%
• selectivity 14%
• vegetables 10%
• butadiene 8%
• oils 6%
• estimating 6%

Chemical Compounds

• Acetylene 61%
• Hydrogenation 49%
• Catalyst 27%
• Alkyne 12%
• Surface 7%
• Desorption 5%