Effects of alloying Pd and Au on the hydrogenation of ethylene: An ab initio-based dynamic Monte Carlo study

Keyphrases

• Ethylene 100%
• Hydrogenation 100%
• Palladium 100%
• Monte Carlo Study 100%
• Dynamic Monte Carlo 100%
• Alloying Effect 100%
• Ethylene Hydrogenation 100%
• Geometric Effect 66%
• Surface Coverage 66%
• Electronic Effect 66%
• Au Addition 66%
• High Temperature 33%
• Hydrogen Bond Strength 33%
• Dehydrogenation 33%
• Charge Transfer 33%
• Carbon-hydrogen Bond 33%
• Intrinsic Rate of Increase 33%
• Dynamic Monte Carlo Simulation 33%
• Pd(111) Surface 33%
• AuPd Alloy 33%
• Rehybridization 33%
• Ethylidyne 33%
• H2 Activation 33%
• Metal-hydrogen Bond 33%
• Hydrogen Partial Pressure 33%
• Low Partial Pressure 33%
• Pd Alloys 33%
• Metal-metal 33%
• Metal Adsorbates 33%
• Metal-free Carbon 33%

Chemistry

• Ethylene 100%
• Hydrogenation 100%
• Alloying 100%
• Palladium 60%
• electronics 40%
• Hydrogen 40%
• Chemical Kinetics Characteristics 20%
• Hydrogen Bonding 20%
• Monte Carlo Method 20%
• Dissociation Energy 20%
• Dehydrogenation 20%
• Mechanical Strength 20%
• Partial Pressure 20%
• Alloy 20%

Chemical Engineering

• Hydrogenation 100%
• Ethylene 100%
• Palladium 60%
• Hydrogen 60%
• Dehydrogenation 20%
• Chemical Kinetics Characteristics 20%