Dynamic Promotion of the Oxygen Evolution Reaction via Programmable Metal Oxides

24 January 2024, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


Hydrogen gas is a promising renewable energy storage medium when produced via water electrolysis, but this process is limited by the sluggish kinetics of the anodic oxygen evolution reaction (OER). Herein, we used a microkinetic model to investigate promoting the OER using programmable oxide catalysts (i.e., forced catalyst dynamics). We found that programmable catalysts could increase current density at a fixed overpotential (100X to 600X over static rates) or reduce the overpotential required to reach a fixed current density of 10 mA/cm^2 (45 – 140% reduction vs. static). In our kinetic parameterization, the key parameters controlling the quality of the catalytic ratchet were the O*-to-OOH* and O*-to-OH* activation barriers. Our findings indicate that programmable catalysts may be a viable strategy for accelerating the OER or enabling lower-overpotential operation, but a more accurate kinetic parameterization is required for precise predictions of performance, ratchet quality, and resulting energy efficiency.


Oxygen Evolution

Supplementary materials

Supporting Information for Dynamic Promotion of the Oxygen Evolution Reaction via Programmable Metal Oxides
List of symbols, microkinetic model, kinetic parameterization, static catalyst simulations, programmable catalyst simulations, and references


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