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The results associated with calculations tend to be validated making use of a number of carbon supported alloy nanoparticles measured within membrane electrode system (MEA) environments. We assess the dependability of descriptors such area d-band centre and O adsorption power as calculated from DFT calculations. We also gauge the security associated with the alloy areas under different adsorbate environments as encountered under ORR conditions. Our computations predict that under an oxygen atmosph