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- W2010342110 abstract "Abstract The different PtnOH (n = 1–10) models have been calculated by ab initio method. The result shows that the binding energy of the PtOH varies with adsorption sites (atop, bridge and hollow) in range of −1.0 to −10.7 eV. It is also found that there exists strong repulsion among the surface OH species and differently charged hydroxyl species can be formed on the Pt surface (the formal charge varies in range of +0.055 to −0.660). On the basis of the calculation result, it is concluded that the variation of the activation energy with the O 2 H 2 ratio results from the manifold bond strengths of the PtnOH (n = 1–10) and the interaction among the adsorbates (OH), which elucidates the experimental observation very well." @default.
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- W2010342110 date "1996-11-01" @default.
- W2010342110 modified "2023-09-27" @default.
- W2010342110 title "Ab initio study of interaction between the OH hydroxyl and Ptn (n = 1–10) clusters" @default.
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- W2010342110 doi "https://doi.org/10.1016/0169-4332(96)00524-7" @default.
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