Steering Selectivity in the Four-Electron and Two-Electron Oxygen Reduction Reactions: On the Importance of the Volcano Slope.

ABSTRACT: In the last decade, trends for competing electrocatalytic processes have been largely captured by volcano plots, which can be constructed by the analysis of adsorption free energies as derived from electronic structure theory in the density functional theory approximation. One prototypical example refers to the four-electron and two-electron oxygen reduction reactions (ORRs), resulting in the formation of water and hydrogen peroxide, respectively. The conventional thermodynamic volcano curve illustrates that the four-electron and two-electron ORRs reveal the same slopes at the volcano legs. This finding is related to two facts, namely, that only a single mechanistic description is considered in the model, and electrocatalytic activity is assessed by the concept of the limiting potential, a

SUBMITTER: Exner KS 

PROVIDER: S-EPMC10037446 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature