Effect of surface hydroxyl coverage on platinum nanoparticles in the oxygen reduction reaction: All-electron density functional theory analysis

- As OH increases on Pt NP, adsorption occurs first on vertices, then Pt(1 0 0) facet, followed by edges.
- Edge adsorption for OH is expected to occur at a high voltage, yielding good energy efficiency.
- The optimal operating potential range for OH reduction is 0.95-0.10 V.