AI Article Synopsis
- Hydroxide ions act as key electrolytes in alkaline environments during electrode reactions, specifically in the oxygen reduction reaction on platinum.
- The study reveals that the desorption process of hydroxyl (OH*) involves a unique cross-sphere mechanism, where the reactant and product are located in different solvation spheres.
- This process is strongly influenced by hydrogen bonding and proton transfer within water layers, highlighting its importance in electrochemical reactions involving OH* desorption and adsorption.
Article Abstract
Hydroxide ion is a common electrolyte when electrode reactions take place in alkaline media. In the case of oxygen reduction reaction on Pt(111), we demonstrate by ab initio molecular dynamics calculations that the desorption of hydroxyl (OH*) from the electrode surface to form a solvated OH is a cross-sphere process, with the OH* reactant in the inner sphere and the OH product directly generated in the aqueous outer sphere. Such a mechanism is distinct from the typical inner sphere and outer sphere reactions. It is dictated by the strong hydrogen bonding interactions between a hydroxide ion and water molecules and is facilitated by proton transfer through solvation layers. It should play a significant role whenever OH* desorption, or its reverse, OH adsorption, is involved in an electrochemical reaction.
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| http://dx.doi.org/10.1021/acs.jpclett.1c01800 | DOI Listing |
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