Optimizing the semiconductor-metal-single-atom interaction for photocatalytic reactivity.

Area of Science:

• Materials Science
• Catalysis
• Photochemistry

Background:

• Metal single-atom (MSA) catalysts offer 100% atom utilization and unique electronic properties for photocatalysis.
• The absence of metal-metal bonds in MSAs allows exclusive coordination with semiconductor photocatalysts, creating tunable interactions.

Purpose of the Study:

• To review the fundamental physicochemical principles of the semiconductor-MSA interaction.
• To highlight the ligand effect on MSA electronic structures and catalytic mechanisms.
• To categorize strategies for constructing efficient semiconductor-MSA interactions at the atomic scale.

Main Methods:

• Review of experimental and theoretical strategies for semiconductor-MSA interaction construction.
• Analysis of ligand effects on electronic and catalytic properties.
• Examination of photocatalytic applications including water splitting, CO2 reduction, and organic synthesis.

Main Results:

• The semiconductor-MSA interaction facilitates photogenerated charge carrier separation and transfer.
• Ligand engineering significantly influences MSA electronic structures and catalytic performance.
• Atomic-scale insights into working mechanisms are provided for various photocatalytic reactions.

Conclusions:

• The semiconductor-MSA interaction is a key platform for advancing photocatalysis.
• Strategies for optimizing this interaction are crucial for designing high-performance photocatalytic systems.
• Further advancements are needed for complex, multi-step photocatalytic reactions.