☆ 4.4 Review

Atomically dispersed dual-metal-site PGM-free electrocatalysts for oxygen reduction reaction: Opportunities and challenges

SUSMAT (2022)

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Summary: Metal and nitrogen co-doped carbons (M-N/Cs) show promising potential as alternatives to platinum-based catalysts for the oxygen reduction reaction (ORR). Density functional theory calculations were used to compare the ORR activity of Co single and double sites embedded in N-doped carbon, revealing significant deviations in the scaling relations for the double site in the graphene sheet. The effects of different implicit and explicit solvent models on the adsorption energies of ORR intermediates were also investigated, highlighting the influence of explicit water molecules on the stability and coordination of the catalyst.

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