Fig. 6: Theoretical calculation and structure-activity relationship. | Nature Communications

Fig. 6: Theoretical calculation and structure-activity relationship.

From: Constructing regulable supports via non-stoichiometric engineering to stabilize ruthenium nanoparticles for enhanced pH-universal water splitting

Fig. 6

a Ru–O, and (b) Ti–O–Ru Pourbaix diagrams generated with aqueous ions concentration of 10−4 M at 25 °C. c Bade charge at the interface of Ru/TiO2, Ru/Ti4O7, and Ru/TiO and corresponding calculated valence states of Ru and Ti. d Free energy profiles of different OER intermediates at 0 V and 1.23 V for Ru site in Ru, Ru/TiO2, Ru/Ti4O7, and Ru/TiO. e Free energy profiles of HER intermediates for Ru site in Ru, Ru/TiO2, Ru/Ti4O7, and Ru/TiO.

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