Fig. 5: PEC H2O2 synthesis and DFT calculations.

a Illustration of PEC water splitting system using a hematite-based photoanode. b Current density–voltage curves of Fe2O3, Sn–Fe2O3, Ti–Fe2O3, and SnTi–Fe2O3 photoanodes in 1.0 M NaHCO3 under dark and back illumination with AM 1.5 G simulated sunlight. c Amounts of H2O2 generated from the photoanodes at 1.23 V vs. RHE with an increase in illumination time. The error bars represent the standard deviation. d The photocurrent densities and the FEs of H2O2 obtained by different electrodes with back illumination at 1.23 V vs. RHE. The error bars represent the standard deviation. e Structural models of hematite (110) (left) and SnO2−x (110) (right) for DFT calculations. f Activity volcano plots based on calculated limiting potentials as a function of ΔGOH*. The calculated values are summarized in Supplementary Table 3.