Fig. 4: Electrochemical C3O2 reaction network on Cu(100). | Nature Chemical Engineering

Fig. 4: Electrochemical C3O2 reaction network on Cu(100).

From: An end-to-end framework for reactivity in heterogeneous catalysis

Fig. 4: Electrochemical C3O2 reaction network on Cu(100).The alternative text for this image may have been generated using AI.

a, CRN visualization with intermediates (left) and elementary reactions (right) colored by phase and reaction type, respectively. b,c, Reaction paths for the electrocatalytic processes from propionaldehyde to 1-PrOH (b) and allyl alcohol to C3H6 and 1-PrOH (c). The dashed lines represent the energy profiles obtained from ref. 57 with DFT, whereas solid lines show the profiles obtained using GAME-Net-UQ.

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