A5103873205- Ammonia Synthesis and Nitrogen Reduction
- Advanced Algorithms and Applications
- Nanomaterials for catalytic reactions
- Fuel Cells and Related Materials
- Advanced battery technologies research
- Catalytic Processes in Materials Science
- Hydrogen Storage and Materials
- Electrocatalysts for Energy Conversion
- Advanced Photocatalysis Techniques
QuantumCTek (China)
2024-2025
Electrochemical nitrate reduction to ammonia (NO3RR) is promising not only tackle environmental issues caused by but also produce at room temperatures. However, two critical challenges are the lack of effective electrocatalysts and understanding related reaction mechanisms. To overcome these challenges, we employed first-principles calculations thoroughly study performance mechanisms triple-atom catalysts (TACs) composed transition metals (including 27 homonuclear TACs 4 non-noble bimetallic...
Compared with associative mechanism, dual-atom catalysts under different surface curvature conditions show enhanced activity for oxygen reduction reaction and evolution in dissociative mechanism.