Density functional theory analysis of reactivity of PtxPdy alloy clusters

We investigate the reactivity of various PtxPdy 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 th...

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Veröffentlicht in:	Surface science 2007, Vol.601 (1), p.165-171
Hauptverfasser:	CALVO, Sergio R, BALBUENA, Perla B
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Cross-disciplinary physics: materials science rheology Exact sciences and technology Physics
Online-Zugang:	Volltext
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