Fig. 3: Catalytic performance and active sites exploration of catalysts in alkaline freshwater.

a HER polarization curves and (b) corresponding Tafel plots for NiMoO4·xH2O, NiMo-Air, NiMo-H2, and Pt/C catalysts and Ni foam in 1 M KOH electrolyte. c HER polarization curves normalized to ECSA for NiMoO4·xH2O, NiMo-Air, and NiMo-H2 catalysts. d Arrhenius plots for NiMoO4·xH2O and NiMo-H2 catalysts. e NiMo-H2 model for DFT calculations. f DOS plots for the NiMo-H2 model. The gray dashed line indicates the Fermi level. g H2O adsorption energy, (h) energy diagram for H2O dissociation, and (i) free energy diagram for H* adsorption for the Ni, Mo, and O sites in the NiMo-H2 model. Source data are provided as a Source Data file.