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42 CHAPTER2. COMPUTATIONALMETHODS 1.8 1.7 1.6 1.5 1.4 1.3 1.2 IrO2 Oc Cl2 evolution O2 evolution PtO2 Occ RuO c U [V] 22 OHc or Clc 1.10 1 2 3 4 5 ∆ E (Oc) [eV] Figure 2.5: The volcano plot for OER and ClER on rutile oxides of Hansen et al. [108]. The dashed and dotted lines enclose areas where either oxygen evolution (blue dashes) or chlorine evolution (black dots) is thermodynamically possible ac- cording to the precondition for activity (e.g. equation 2.49 for Cl2). However, unless the surface intermediate involved in a reaction is prevalent on the surface, the reaction rate is predicted to be low. The thick black line encloses areas where the chlorine evolution rate is predicted to become significant, since the precondi- tion for activity is fulfilled and the intermediate involved in the reaction is prevalent on the surface. Figure reproduced from Hansen et al. [108] with permission of the PCCP Owner Societies.PDF Image | Studies of Electrode Processes in Industrial Electrosynthesis
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