Fig. 3: Unification of multiple small-molecule activation reactions. | Nature Communications

Fig. 3: Unification of multiple small-molecule activation reactions.

From: Machine learning-assisted dual-atom sites design with interpretable descriptors unifying electrocatalytic reactions

Fig. 3

a ∆G(z) − ∆Gopt(z) as positive functions of the primitive descriptor ϕxx for X-X sites, where z represents *OH, *COOH, or *N2 → *N2H. Insets: ϕopt for different reactions and products. b Linear relationship between the bond energies of reactants (N≡N, C=O, and O=O bond) vs. ϕopt for corresponding reactions.

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