We outline a systematic experimental and theoretical study {on the|around the} influence of ruthenium contamination {on the|around the} oxygen reduction activity (ORR) of a Pt/C catalyst at potentials relevant to a polymer electrolyte fuel cell cathode. A {commercial|industrial} Pt/C catalyst was contaminated by {different|various|distinct|diverse|unique|distinctive} amounts of ruthenium, equivalent to 0.15-4 monolayers. The resulting ruthenium-contaminated Pt/C powders {were|had been|have been} characterized by Energy–Dispersive X–ray Spectroscopy (EDS), X–ray Photoelectron Spectroscopy (XPS) and Scanning Transmission Electron Microscopy (STEM) to {verify|confirm} ruthenium contamination. A rotating disk electrode (RDE) {technique|method|approach|strategy} was {used|utilized|employed|utilised|applied|made use of} to study the influence of ruthenium on oxygen reduction kinetics. Density functional theory (DFT) calculations {were|had been|have been} performed to estimate the oxygen reduction activity {of the|from the|in the|on the|with the|of your} platinum surface with {increasing|growing|escalating|rising} ruthenium coverage, simulating ruthenium-contaminated Pt/C. The binding energies of O and OH {on the|around the} surfaces {were|had been|have been} {used|utilized|employed|utilised|applied|made use of} for activity estimations.It was {found|discovered|identified|located} that the {specific|particular|certain|distinct|precise} activity {of the|from the|in the|on the|with the|of your} ORR at 0.85V vs RHE exhibited a pseudo-exponential decay with {increased|elevated|improved|enhanced} ruthenium contamination, decreasing by ~45% {already|currently} at 0.15 monolayer-equivalent contamination. {The results|The outcomes} {of the|from the|in the|on the|with the|of your} DFT calculations {were|had been|have been} qualitatively in line with experimental findings, verifying the {effect|impact} of O and OH binding energies {and the|and also the|as well as the|along with the|plus the} oxophilic nature of ruthenium on ORR {and the|and also the|as well as the|along with the|plus the} {ability|capability|capacity|potential} {of the|from the|in the|on the|with the|of your} {chosen|selected} {approach|method|strategy} to predict the {effect|impact} of ruthenium contamination on ORR on platinum. 1612792-88-7 Chemscene 1261451-92-6 web PMID:24179643
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