Fig. 4: Mechanism of the HER process at the surface of reconstructed SRO.
From: Observation of a robust and active catalyst for hydrogen evolution under high current densities
a Optimized adsorption geometry for the Ru6 cluster at the (001) surface of SRO. Ru1 and Ru2 represent the Ru site that binding with the SRO and above the surface. The Ru cluster with \({D}_{3{{{{{\rm{h}}}}}}}\) geometry is given for reference. b Charge-density difference and c the corresponding plane-averaged charge-density difference (right) along the z-direction normal to the \({{{{{{\rm{Ru}}}}}}}_{6}\)/SRO interface. d Optimized hydrogen adsorption of H atom at the surface of \({{{{{{\rm{Ru}}}}}}}_{6}\)/SRO. Charge transfer numbers are different for the Ru1 and Ru2 sites. e. Comparison of \(\triangle {{{{{{\rm{G}}}}}}}_{{{{{{{\rm{H}}}}}}}^{*}}\) values of the fresh SRO, activated \({{{{{{\rm{Ru}}}}}}}_{6}\)/SRO catalyst, and state-of-the-art Pt catalyst.
