Fig. 4: Electrochemical performance and characterization of MoOxCy electrocatalysts and the underlying mechanism.

a Polarization curves of HCP-MoOC, HP-MoOC, and commercial Pt/C and MoO2 catalysts. The polarization curves without iR compensation are shown in Fig. S15. All tests were conducted at room temperature (23 °C). b Δη/Δlog|j| ratios for Pt/C, HP-MoOC, and HCP-MoOC in different current density ranges. The error bars correspond to the standard deviation calculated from three separate experimental replicates. c Nyquist plots for HCP-MoOC at different potentials vs RHE, demonstrating the relationship between charge transfer resistance and applied potential. d Atomic models and e charge distributions of MoO2 and HCP-MoOC catalysts. f Projected density of states (PDOS) of MoO2, HP-MoOC, and HCP-MoOC catalysts. Dashed lines indicate the d-band centers of Mo. g DFT-calculated Gibbs free energy (∆GH) variations for HER on MoO2, HP-MoOC, and HCP-MoOC catalysts.