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62 CHAPTER4. RESULTSANDDISCUSSION 6 5 4 3 2 1 0 Pt-Ti-Ir Mo-Ti-Cu Re-Ti-Zn Average of the adsorption energies of the binary systems Calculated adsorption energy Figure 4.11: The effect of surrounding a Ti active site with two different dopants. The bright bars are adsorption energies estimated as the mean value of the ad- sorption energies of the two binary systems, while the dark bars are the calculated adsorption energies on the ternary slabs. The horizontal lines correspond to (from top to bottom) the descriptor value for pure TiO2 (green), the optimal descriptor value for ClER selectivity and activity (red), the descriptor value for maximum OER activity (blue) and the descriptor value for pure RuO2 (black). ∆E(Oc ) / eVPDF Image | Studies of Electrode Processes in Industrial Electrosynthesis
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