Single vs double atom catalyst for N₂ activation in nitrogen reduction reaction: A DFT perspective

Chemistry

• Density Functional Theory 100%
• Single Atom Catalyst 100%
• Nitrogen Reduction Reaction 100%
• Transition Element 100%
• Electronic State 66%
• Ammonia 33%
• Electrochemical Reduction 33%
• Energy Consumption 33%
• Complex Reaction Mechanisms 33%
• Ammonia Synthesis 33%
• Clarification 33%

Material Science

• Density 100%
• Transition Metal 100%
• Electronic Structure 66%
• Electrochemical Reaction 33%

Chemical Engineering

• Transition Metal 100%
• Ammonia Synthesis 33%