fig5

Figure 5. (A) Projected density of states (PDOS) of Ru on the above three Ru systems and the schematic illustration between the d-band centers and adsorption-desorption abilities of HER intermediates. (B) Comparison of ΔG_H* of HER on RuN₄, Ru cluster, Ru cluster+RuN₄ and Pt system. (C) The calculated energy barrier for water splitting on RuN₄, Ru cluster and Ru cluster+RuN₄ system. Reproduced with permission from Ref.^[86], © Elsevier Ltd. 2022. (D) Schematic of the alkaline HER mechanism for RuN₄/Ru NPs. Gray atoms, blue atoms, cyan atoms, white atoms, and red atoms represent C, N, Ru, H, and O elements. (E) Adsorption energies of the above three Ru models for OH group (OH^*). Reproduced with permission from Ref.^[88], © The Royal Society of Chemistry 2019.