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. 2016 Jul 22;7:12272. doi: 10.1038/ncomms12272

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(a) A schematic representation of the HER reaction mechanism: (i) adsorption of hydrogen ions on the Rh surface. (ii) Diffusion of a hydrogen atom from the Rh surface to the Si surface. (iii) The adsorbed hydrogen atom on the Si surface reacts with a proton to form a hydrogen molecule. And the Rh-adsorbed hydrogen may migrate to the surface of Si atoms (marked with a red circle): (b) IS, initial state; (c) TS, transition state; and (d) FS, final state. (e) The activation energy to get to the transition state is 0.24 eV and in the final state the adsorbed hydrogen is 0.33 eV below the transition state and 0.09 eV below the initial state.