Establishing Structure/Property Relationships in Atomically Dispersed Co-Fe Dual Sites M-N_x Catalysts on Microporous Carbon for Oxygen Reduction Reaction

Coupled metal–nitrogen–carbon (M–Nx–C) materials show great promise as platinum-group-metal (PGM) free catalysts for the oxygen reduction reaction (ORR). Herein, we report a facile strategy to construct atomically dispersed Co–Fe dual sites enriched on the surface of nitrogen doped microporous carbon (NC) as an efficient electrocatalyst for ORR. Synchrotron X-ray techniques indicate that the Co and Fe atoms are strongly correlated while further revealing that the longer-range lattice structure of NC is highly tunable. Density functional theory calculations reveal that the Co–Fe dimers are incorporated in the slightly disordered NC substrate, providing a lower adsorption free energy for O2. The as-prepared CoFe–NC catalyst exhibited excellent ORR activities, while a CoFe–NC based zinc–air battery exhibited a power density of 115 mW cm−2 and a specific capacity of 791 mA h g−1. This work showcases a straightforward methodology for creating atomically dispersed catalysts and illustrates the importance of understanding how dual metal sites impact electrocatalytic activity.

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Recommended citation: Wang, K., Liu, J., Tang, Z., Li, L., Wang, Z., Zubair, M., Ciucci, F., Thomsen, L., Wright, J. and Bedford, N.M., 2021. Establishing structure/property relationships in atomically dispersed Co–Fe dual site M–N x catalysts on microporous carbon for the oxygen reduction reaction. Journal of Materials Chemistry A, 9(22), 13044-13055.