2026-04-14T05:43:44Zhttps://recercat.cat/oai/request
oai:recercat.cat:2072/4827512025-04-03T12:06:52Zcom_2072_98col_2072_378192
RECERCAT author Petersen, Amanda S. author Jensen, Kim D. author Wan, Hao author Bagger, Alexander author Chorkendorff, Ib author Stephens, Ifan E. L. author Rossmeisl, Jan author Escudero-Escribano, María 2025-04-03T12:06:52Z 2025-04-03T12:06:52Z 2023 http://hdl.handle.net/2072/482751 Electrolyte effects play an important role in the activity of the oxygen reduction reaction (ORR) of Pt-based electrodes. Herein, we combine a computational model and rotating disk electrode measurements to investigate the effects from phosphate anion poisoning for the ORR on well-defined extended Pt surfaces. We construct a model including the poisoning effect from phosphate species on Pt(111) and Cu/Pt(111) based on density functional theory simulations. By varying the subsurface Cu content of the Cu/Pt(111) alloy, we tune the *OH binding energies on the surface by means of ligand effects, and as a result, we tune the ORR activity. We have investigated the effect of adsorbed phosphate species at low overpotentials when tuning *OH binding energies. Our results display a direct scaling relationship between adsorbed *OH and phosphate species. From the model, we observe how the three-fold binding sites of phosphate anions limit the packing of poisoning phosphate on the surface, thus allowing for *OH adsorption even when poisoned. Our work shows that, regardless of surface site blockage from phosphate, the trend in the catalytic oxygen reduction activity is predominantly governed by the *OH binding. open access Aquest material està protegit per drets d'autor i/o drets afins. Podeu utilitzar aquest material en funció del que permet la legislació de drets d'autor i drets afins d'aplicació al vostre cas. Per a d'altres usos heu d'obtenir permís del(s) titular(s) de drets. https://rightsstatements.org/vocab/InC/1.0/ Oxygen reduction reaction Platinum Near-surface alloys Density functional theory Anion Adsorption Modeling Anion Poisoning during Oxygen Reduction on Pt Near-Surface Alloys Article