Figure 5

Transition-state (TS) structures at (a) CH3CN/Pt(111), (b) CH3CN/Pt(100) and (c) CH3CN/Pt(411) interfaces; inserts: corresponding charge-density-difference map of TS, and a light-blue color represents electron accumulation and yellow represents electron depletion. (d) Standard Gibbs free-energy profiles of the IRR on Pt(111), Pt(100), Pt(411). (e) Gibbs free-energy profiles of the IRR on Pt(111), Pt(100), Pt(411), under the equilibrium voltage of 0.54 V. (f) Linear relationship between the I* desorption barrier
and the adsorption energy
. Adapted from Zhang et al.58 Copyright © 2013 Rights Managed by Nature Publishing Group.