The field of heterogeneous-phase catalysis has seen significant advancements in recent years, particularly in the design and deployment of stable single-site catalysts. Traditional industrial catalysts typically consist of a support material that enhances the dispersion and activity of the catalytically active components. However, the quest for higher activity and selectivity, coupled with the need to minimize waste, has driven the incorporation of stable inorganic or organic promoters into catalytic materials. Recent breakthroughs in catalyst preparation techniques have enabled the creation of atom-precise structures, where a single atom of catalytically active material is exposed within a less active metal matrix. These single-site catalysts exhibit remarkable selectivity in various catalytic reactions, especially in clean energy and green chemistry applications. Despite these advancements, there remain significant gaps in our understanding of the fundamental design, stabilization, and application of these catalysts, necessitating further investigation.

This Research Topic aims to deepen our understanding of the structure, electronic properties, and chemical behaviors of single-site catalysts. We seek to encourage contributions that present both experimental and theoretical/computational research, with a focus on innovative approaches and methodologies. Specific questions to be addressed include the mechanisms underlying the high selectivity of single-site catalysts, the role of organic modifiers in influencing catalytic reactions, and the potential applications of these catalysts in various domains. Hypotheses to be tested may involve the stability and dynamics of single sites on different supports, as well as the effectiveness of ligand-functionalized catalysts in biomimetic applications.

To gather further insights into the design and deployment of stable single-site catalysts, we welcome articles addressing, but not limited to, the following themes:

• Single-site catalysis as it applies to thermochemical processes, electrocatalysis, and photocatalysis, including but not limited to carbon one-molecule (C1) activation.
• Structure, stability, and dynamics of single sites on oxide and carbon supports.
• Ligand-functionalized single-site catalysts for biomimetic applications.
• Catalytic chemistry of single atoms stabilized in porous structures, such as zeolites and metal-organic frameworks (MOFs).
• The design of single chiral sites for enantioselective catalysis.

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Frontiers in Catalysis

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