Figure 6
(A–F) Theoretical modeling by DFT showing the distribution of EP at the catalytically active centers. (A) Optimized structure of C/Co3O4 CPs indicating the atomic arrangement; the blue, green and red atoms represent Co3+, Co2+ and oxygen respectively. The cobalt atoms (Co3+ and Co2+) are positively charged, whereas the oxygen atoms were negatively charged. (B) EP counter over the surface of the suggested structure of C/Co3O4 CPs. (C–H) EP mapping along the exposed surface facets: {110} (C), {111} (D), {001} (E), {001/110} ridge (F), {112} (G) and (111/112} ridge (H).
