Abstract
AbstractThe structure and energetics of two types of oxygen‐terminated diamond surfaces, the keto and ether configurations, were investigated by density functional theory. To explore OH generation, we studied the approach of a hydroxyl radical to these surfaces. The OH radical strongly interacted with the ether‐type surface, whereas the radical was repelled in the keto configuration. The kinetics of OH generation in alkaline solutions (OH−↔OH+e−) on oxygen‐terminated diamond electrodes was investigated in light of the theory of catalyzed electron transfer. Our results suggested that the electron transfer occurs in the outer‐sphere mode with an activation energy of 0.5 eV.
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