Fig. 4: Schematic of hydrogen spillover assisted HER mechanism and DFT calculation of Gibbs free energy evolution. | Nature Communications

Fig. 4: Schematic of hydrogen spillover assisted HER mechanism and DFT calculation of Gibbs free energy evolution.

From: Coupling of nanocrystal hexagonal array and two-dimensional metastable substrate boosts H2-production

Fig. 4: Schematic of hydrogen spillover assisted HER mechanism and DFT calculation of Gibbs free energy evolution.

a The schematic representation of hydrogen spillover assisted HER mechanism for Rh-NA/RhO2 electrocatalyst. The enlarge image shows that the HER process in Rh-NA/RhO2 system includes three main steps: (i) adsorption and reduction of hydrogen on the Rh nanoparticles surface; (ii) the hydrogen spillover from Rh nanoparticles to the contact interface between Rh nanoparticles and P-Tri-RhO2 substrate; and (iii) the Heyrovsky process to produce hydrogen molecules. b The hydrogen spillover effect on Rh-NA/RhO2. c The hydrogen adsorption free energy diagram of different sites on Rh-NA/RhO2. d Comparisons of the d-orbitals distribution of Rh and Rh-NA/RhO2. e Two-electron Gibbs free energy evolution diagrams on Pt (111), Rh (111) and Rh-NA/RhO2.

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