Fig. 5: OER mechanism studies for Ir1/TO–CoOOH and Ir1/VO–CoOOH.
From: Selectively anchoring single atoms on specific sites of supports for improved oxygen evolution
a, b Schematic structure model of Ir1/TO–CoOOH from top (a) and side (b) views. c, d Schematic atomic structure of Ir1/VO–CoOOH from top (c) and side (d) views. e Co 3d projected density of states (PDOS) in CoOOH, Ir1/TO–CoOOH, and Ir1/VO–CoOOH. f, Free energy diagrams. g, h The schematic OER pathway for Ir1/TO–CoOOH (g) and Ir1/VO–CoOOH (h). The pink, red, yellow, orange, and purple spheres represent H, O, Cl, Co, and Ir atoms, respectively. The dashed grey line indicates the hydrogen bonding. The reaction intermediates are indicated by blue circles.
