Abstract:

Single atom catalysts (SACs) are promising candidates for various catalytic systems due to their unique electronic structures and the highest atom utilization. Modulating the electronic structure of SACs catalysts is the key to its further development, can optimize the adsorption and bonding energies of the catalysts by regulating the electronic properties, and thus improves the catalytic activity and stability. Herein, we provide a comprehensive understanding of SACs in catalysis through their electronic structures and their associated knowledges. Various electronic properties have been discussed, such as energy band structure, orbital hybridization and associated spin states, etc. Electrocatalysis as a technology for reducing carbon emissions and utilizing renewable energy sources which can address growing pollution problems, is receiving increasing attention, making the design of high-performance catalysts critical. From this review, we discusse how the electronic structure of SACs affects their electrochemical catalytic performance and explore its relationship with activity and stability of SACs. The understanding of the fundamentals of electronic structures in catalytic processes can provide rational guidance for the design of catalysts in various catalytic reactions in the future

Key words: single atom catalysts, electronic structure, catalytic reaction