Journal Articles Small Year : 2024

Modulating the Iron Microenvironment for a Cooperative Interplay between Fe-N-C Single Atoms and Fe 3 C Nanoclusters on the Oxygen Reduction Reaction

Abstract

The coexistence of single atoms and nanoparticles has been shown to increase the oxygen reduction performance in Fe-N-C electrocatalysts, but the mechanisms underlying this synergistic effect remain elusive. In this study, we systematically designed and synthesized model Fe-N-C electrocatalysts with controlled ratios of FeN 4 sites and Fe 3 C nanoclusters. Experiments and density functional theory (DFT) computations revealed that Fe 3 C nanoclusters near FeN 4 sites modulate the electron density of the Fe single-atom microenvironment through an electron withdrawing effect. This substantially alters the oxygen reduction reaction (ORR) mechanisms and boosts the catalytic performance of FeN 4 sites. Our study provides fundamental insights into the dynamic catalytic impact of single atoms and nanoparticle coexistence in advanced Fe-N-C electrocatalysts for the ORR, paving the way for further refinement through various combinations.

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Year Month Jours
Avant la publication
Tuesday, May 27, 2025
Embargoed file
0 3 8
Year Month Jours
Avant la publication
Tuesday, May 27, 2025
Embargoed file
Tuesday, May 27, 2025
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Dates and versions

hal-04892237 , version 1 (16-01-2025)

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Anthony Dessalle, Javier Quílez-Bermejo, Jean Wilfried Hounfodji, Michael Badawi, Andrea Zitolo, et al.. Modulating the Iron Microenvironment for a Cooperative Interplay between Fe-N-C Single Atoms and Fe 3 C Nanoclusters on the Oxygen Reduction Reaction. Small, 2024, ⟨10.1002/smll.202409474⟩. ⟨hal-04892237⟩
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