Fig. 4: Atom-by-atom design of OER energetics. | npj Computational Materials

Fig. 4: Atom-by-atom design of OER energetics.

From: Towards atom-level understanding of metal oxide catalysts for the oxygen evolution reaction with machine learning

Fig. 4

a Binding energy of O*, OH*, and OOH* as a linear function of surface per-site properties. Binding energies compared to predictions from a neural network based on per-site properties are shown in the inset. b Feature importance of each per-site property with respect to binding energies. c Correlation matrix of surface per-site properties. d Surface per-site property correlation network with Bonferroni corrected p values > 0.01 filtered out.

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