Carbon Dioxide Reduction on Transition Metal Dichalcogenides with Ni and Cu Edge Doping: A Density-Functional Theory Study

Keyphrases

• Density Functional Theory 100%
• Transition Metal Dichalcogenides 100%
• Carbon Dioxide Reduction 100%
• Edge Doping 100%
• CO2 Reduction Reaction (CO2RR) 40%
• Cu Doping 40%
• Nicu 20%
• Bonding Strength 20%
• Methane 20%
• Active Sites 20%
• Density Functional Calculations 20%
• Non-doped 20%
• Catalytic Performance 20%
• Ni Doping 20%
• Dopant Atoms 20%
• Bonding Mode 20%
• Sulfur-based 20%
• Sabatier Reaction 20%
• Chalcogen Atoms 20%

Material Science

• Density 100%
• Transition Metal Dichalcogenide 100%
• Carbon Dioxide 100%
• Mechanical Strength 20%
• Doping (Additives) 20%
• Transition Metal 20%