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(a) Geometric structures of Fe–Co DACs/TACs with coordination configurations 1–5 (FexCo2–x-1–5-NC/ FexCo3–x-1–5-NC). (b, c) Computed antiaggregation energy and dissolution potential of metal atoms in Fe–Co DACs/TACs, respectively (Fe–Co DACs/TACs with Eanti-agg < 0 eV and Udiss ≥ 0 V vs RHE are marked in red).
