Fig. 3 | Nature Communications

Fig. 3

From: eg occupancy as an effective descriptor for the catalytic activity of perovskite oxide-based peroxidase mimics

Fig. 3

Computational analysis of the peroxidase-mimicking activity of ABO3 perovskite TMOs. a Proposed sub-processes responsible for the oxidation of TMB to oxTMB with the (001) facet of ABO3 as peroxidase mimics. b, c Adsorption energies of O (Eads,O) and OH (Eads,OH) plotted as a function of eg occupancy, where Eads and eg occupancy were obtained by calculations and experiments, respectively. Source data are provided as a Source Data file

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