Journal article

Publication year: 2015

Pages: 163-172

Journal: Electrocatalysis

Volume number: 6

Issue number: 2

DOI Link: https://doi.org/doi.org/10.1007/s12678-014-0220-3

Publisher: Springer

Abstract: 

The frequently discussed mechanisms for the chlorine evolution reaction (CER)—Volmer–Tafel, Volmer–Heyrovsky, and Krishtalik—are assessed for the case of RuO2 within a mechanistic ab initio thermodynamics approach, employing the concept of Gibbs energy loss. The CER over the fully O-covered RuO2(110) surface, the stable surface configuration under CER conditions, is shown to proceed via the Volmer–Heyrovsky mechanism, i.e., the adsorption and discharge of the chloride ion are followed by the direct recombination of this surface species with a chloride ion from the electrolyte solution. The weak adsorption of the chloride ion on the fully O-covered RuO2(110) surface constitutes the elementary reaction step with highest Gibbs energy loss which has its origin in a too strong ruthenium–oxygen bond. Therefore, the activity of the model catalyst RuO2(110) can be enhanced by weakening the surface metal–oxygen bond such as realized with a monolayer of PtO2 coated on RuO2(110).

Harvard Citation style: Exner, K., Anton, J., Jacob, T. and Over, H. (2015) Microscopic Insights into the Chlorine Evolution Reaction on RuO2(110): a Mechanistic Ab Initio Atomistic Thermodynamics Study, Electrocatalysis, 6(2), pp. 163-172. https://doi.org/doi.org/10.1007/s12678-014-0220-3

APA Citation style: Exner, K., Anton, J., Jacob, T., & Over, H. (2015). Microscopic Insights into the Chlorine Evolution Reaction on RuO2(110): a Mechanistic Ab Initio Atomistic Thermodynamics Study. Electrocatalysis. 6(2), 163-172. https://doi.org/doi.org/10.1007/s12678-014-0220-3