Strategies for enhancing catalytic performance of single-atom catalysts in 2e- oxygen reduction reaction: A review
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PUBLIC SUMMARY
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Summarizing modulation strategies of SACs (Single-Atom Catalysts) for 2e– ORR (oxygen reduction reaction).
Summarizing the reaction mechanism of 2e- ORR and the recent theoretical advances in SACs' structural design.
Identifying research gaps and future prospects of SACs for 2e- ORR.
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ABSTRACT
The electrocatalytic two-electron oxygen reduction reaction (2e– ORR) is an effective method for synthesizing hydrogen peroxide under ambient temperature and pressure, which offers advantages such as operational safety and low cost. Single-atom catalysts (SACs) consist of individual metal atoms dispersed on a support, allowing for high structural tunability and cost-effectiveness. Notably, the unsaturated coordination environments and unique electronic structures of SACs significantly enhance their catalytic activity, while isolated active sites improve selectivity for hydrogen peroxide. Consequently, SACs have attracted considerable research interest in the field of 2e– ORR in recent years, leading to significant advancements. This paper first outlines the mechanisms and pathways of the 2e– ORR, as well as the structural design principles of SACs. It then summarizes modulation strategies for SACs, focusing on the selection of metal atoms, optimization of the coordination environment, and modification of the support. Furthermore, the paper discusses how these strategies influence the catalytic activity, selectivity, and stability of SACs. Finally, it highlights the limitations of SACs in 2e– ORR research, including inadequate catalytic performance, insufficient mechanistic studies, and challenges in synthesis, while proposing potential solutions and future research directions. -
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Gao X., Huang G., Jing S., et al. (2025). Strategies for enhancing catalytic performance of single-atom catalysts in 2e- oxygen reduction reaction: A review. The Innovation Materials 3:100141. https://doi.org/10.59717/j.xinn-mater.2025.100141
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Gao X., Huang G., Jing S., et al. (2025). Strategies for enhancing catalytic performance of single-atom catalysts in 2e- oxygen reduction reaction: A review. The Innovation Materials 3:100141. https://doi.org/10.59717/j.xinn-mater.2025.100141
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Figure 1.
The oxygen adsorption modes at the active sites and the ORR reaction pathways
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Figure 2.
Types of SACs studied for 2e– ORR and performance comparison of noble vs. non-noble metal SACs via radar chart analysis
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Figure 3.
Theoretical research of different types of SACs for 2e– ORR: volcano plots, adsorption trends, and performance evaluation
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Figure 4.
A schematic summary of regulation strategies of SACs for 2e– ORR
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Figure 5.
ORR pathways and H2O2 selectivity in different transition metal SACs: binding energy and activity volcano relationships
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Figure 6.
Different DACs for 2e– ORR: adsorption modes, electronic structure, and pH-dependent H2O2 selectivity
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Figure 7.
Regulation of coordination structures of SACs for 2e– ORR pathways: volcano activity, H2O2 selectivity, and electronic structure modulation
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Figure 8.
Theoretical calculations and performance analysis of 2e– ORR for SACs with engineered support materials
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Figure 9.
Summary and perspectives on SACs for 2e– ORR.
