Fig. 3: Identification of the active centers for NO3-RR on Ru/WO3-x. | Nature Communications

Fig. 3: Identification of the active centers for NO3-RR on Ru/WO3-x.

From: Reverse hydrogen spillover accelerates electrocatalytic nitrate reduction to ammonia on Ru/WO3-x in acidic media

Fig. 3: Identification of the active centers for NO3-RR on Ru/WO3-x.

a DEMS spectra. b Reaction pathway free energy diagrams for interfacial and marginal Ru-Ru dual-site adsorption models. c Schematic of the simulated band centers and (d) hydrogenation free energy on N or O site for interfacial and marginal Ru-*NO adsorption models. e Proton adsorption free energy diagrams for interfacial and marginal Ru and O sites in the initial Ru/WO3-x model. Insets in (b), (d) and (e) show the corresponding atomic models. Source data for Fig. 3 are provided as a Source Data file.

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