What is it about?

This research introduces a new way to improve catalysts used in energy devices like metal-air batteries and fuel cells. These devices depend on the oxygen reduction reaction (ORR), but existing catalysts, mainly based on expensive platinum, are costly and prone to problems like poisoning and aggregation. The scientists developed a catalyst made of special nanoparticles composed of Fe3O4 (iron oxide) and CeO2 (cerium oxide). These hetero-nanoparticles are integrated into N-doped carbon nanofibers, forming a composite structure. The key innovation is how the interface between Fe3O4 and CeO2 is engineered at the atomic level. This interface causes a phenomenon called orbital coupling, which shifts the energy levels of electrons in the catalytic sites, specifically lowering the d-band center of iron (Fe). This shift reduces the strength with which oxygen and its intermediates bind to the catalyst, making it easier for the reaction to proceed efficiently. Theoretical calculations confirm that this shift results in weakened oxygen chemisorption and lower energy barriers, leading to much better catalytic activity. Experimentally, the catalyst displays outstanding performance in alkaline solutions—achieving a high half-wave potential of 0.84 V, surpassing many existing Fe-based catalysts and even outperforming commercial platinum catalysts in stability. When used in zinc-air batteries, the catalyst delivers higher power output, greater energy density, and excellent cycling stability. These results mean that such engineered catalysts can potentially replace expensive platinum and improve the performance of energy storage and conversion devices, advancing eco-friendly energy solutions.

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Why is it important?

Developing affordable, high-performance catalysts for ORR is critical for sustainable energy technologies. Current platinum-based catalysts are effective but prohibitively expensive and limited by scarcity and durability issues. Transition metal oxides like Fe3O4 are attractive alternatives because they are cost-effective, stable, and environmentally friendly. However, their catalytic activity has traditionally been limited by poor electrical conductivity and suboptimal binding of reactants. This study provides a breakthrough by showing how precise engineering at the atomic level—specifically manipulating the electronic structure via interfacial orbital coupling—can significantly enhance catalyst performance. The tailored shift of the d-band center weakens the binding of reaction intermediates, facilitating faster reactions with less energy input. The composite structure also improves electrical conductivity and exposes more active sites, leading to robust and long-lasting performance. Such advancements could translate into cheaper, more efficient energy devices, helping to reduce reliance on fossil fuels, lower costs, and accelerate adoption of renewable energy systems. The method exemplifies a new strategy where atomic-scale control over catalysts enables significant practical improvements for clean energy applications. Key takeaways: • Interfacial orbital coupling in hetero-nanoparticles improves catalytic activity for oxygen reduction. • The engineered catalyst outperforms commercial platinum in performance and stability. • Tailoring the d-band center weakens oxygen binding, lowering energy barriers. • The strategy offers a cost-effective approach for next-generation energy conversion devices. • This work advances atomic-level design to improve sustainable energy technologies.

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This page is a summary of: Engineering of Fe d-band center in Fe 3O 4/CeO 2 hetero-nanoparticles via orbital coupling for high-efficiency oxygen reduction electrocatalysis, Nano Research, January 2025, Tsinghua University Press,
DOI: 10.26599/nr.2025.94907016.
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