A theoretical study of CH4 dissociation on pure and gold-alloyed Ni(111) surfaces

Chemistry

• Purity 100%
• Methane 100%
• Transition State 50%
• Methyl Group 50%
• Normal Modes 50%
• Nickel Atom 50%
• Density Functional Theory Study 50%
• Alloying 50%

Keyphrases

• C-H Bond 100%
• Point Correction 33%
• Adjacent Surface 33%
• CH4 Adsorption 33%
• Active C 33%
• Nickel Atom 33%
• Real-time Mode 33%
• Normal Mode Analysis 33%
• Zero Point 33%

Physics

• Methane 100%
• Density Functional Theory Study 50%
• Adsorption 50%
• Alloying 50%