Double-Atom Catalysts Featuring Inverse Sandwich Structure for CO₂ Reduction Reaction: A Synergetic First-Principles and Machine Learning Investigation

Chemistry

• First Principle 100%
• Metal Atom 100%
• CO2 Reduction Reaction 100%
• Density Functional Theory 20%
• Molecular Dynamics 20%
• Electrocatalyst 20%
• Electron Affinity 20%
• Ionization Potential 20%
• Carbon Dioxide Emission 20%
• Electronegativity 20%
• Binding Energy 20%
• Graphene 20%
• formation 20%
• stability 20%
• Density Functional Theory 20%

Material Science

• Carbon Dioxide 100%
• Density 33%
• Catalysis 33%
• Graphene 16%
• Electrocatalysts 16%