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The reactivity of Pt–Pd alloy surfaces towards the oxygen reduction reaction is studied as a function of the alloy overall composition and surface atomic distribution and compared to that on pure Pt surfaces. The systems include Pd and Pt monolayers on various substrates and Pt 3 Pd, PtPd and PtPd 3 surfaces of ordered alloys. Reactivity is evaluated on the basis of the adsorption...
We investigate the reactivity of various Pt x Pd y combinations (with x+y=10 and various x:y ratios) towards the adsorption of specific intermediates of the oxygen reduction, using the B3PW91 hybrid density functional theory. The reactivity is shown to be not only sensitive to the composition of the cluster, but also to the atomic distribution. The calculations indicate that two different...
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