Thermodynamics and kinetics of oxygen-induced segregation of 3d metals in Pt–3d–Pt(111) and Pt–3d–Pt(100) bimetallic structures
作者： Carl A. Menning , Jingguang G. Chen
DOI: 10.1063/1.2900962
关键词:
摘要: The stability of subsurface 3d transition metals (3d represents Ni, Co, Fe, Mn, Cr, V, and Ti) in Pt(111) Pt(100) was examined vacuum with 0.5 ML atomic oxygen by a combined experimental density functional theory (DFT) approach. DFT used to predict the trends binding energy remain layer. calculations predicted that for both (111) (100) crystal planes Pt-3d-Pt configurations were thermodynamically preferred surface 3d-Pt-Pt adsorption oxygen. Experimentally, predictions verified using Auger electron spectroscopy monitor segregation Ni Co structures on polycrystalline Pt foil, composed mainly facets. activation barrier oxygen-induced found be 17+/-1 kcal/mol attributed areas 27+/-1 foil. For Pt-Co-Pt, 10+/-1 Bronsted-Evans-Polanyi relationship utilized barriers other Pt-3d-Pt(111) Pt-3d-Pt(100) systems. These results are further discussed connection activity cathode bimetallic electrocatalysts proton exchange membrane fuel cells.
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