Fig. 4: Atomistic insight.
From: Diversity of platinum-sites at platinum/fullerene interface accelerates alkaline hydrogen evolution
a The employed Pt/C60 model with the C atoms in the top and bottom fullerene layers displayed in black and grey, respectively, Pt atoms on edge in dark blue and Pt atoms on terraces in lighter blue. b Electronic density difference due to the interactions between Pt and C60 as an integrated 1D profile and 3D-isosurface plotted at 0.02 e Å−3 value. Yellow and cyan regions of the iso-surface represent excess and deficit of electrons, respectively. c Distribution of binding Gibbs free energies of H (top), OH (middle), and H2O (bottom) on unsupported Pt NCs compared to the much wider distributions calculated on Pt/C60. d The enhancement in the reaction rate constants of the various alkaline HER reaction steps on Pt/C60 (011) and Pt/graphene relative to the unsupported Pt NCs estimated through activation energies. e LSV of supported Pt/C60, Pt/graphene, and unsupported Pt NCs calculated from the microkinetic model. f Summary of the reaction steps on the Pt/C60.
