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• W2040472719 endingPage "23578" @default.
• W2040472719 startingPage "23571" @default.
• W2040472719 abstract "A density functional theory study of the elementary steps that lead to the removal of CO(ads(Pt)) over alloyed and sequentially deposited Pt/Ru bimetallic nanoclusters is presented. The reaction energies and activation barriers for the H2O(ads(Ru)) dissociation and CO(ads(Pt)) + OH(ads(Ru)) reaction are estimated in solid-gas interface and in a microsolvated environment to determine which surface morphology is more tolerant to COads poisoning. On the basis of the energetics, the sequentially deposited Pt/Ru nanocluster is predicted to be a much more promising anode catalyst than the alloy cluster surface in fuel cell applications." @default.
• W2040472719 created "2016-06-24" @default.
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• W2040472719 date "2005-11-19" @default.
• W2040472719 modified "2023-10-16" @default.
• W2040472719 title "Density Functional Theory Study of Water Activation and CO_a_ds + OH_a_ds Reaction on Pure Platinum and Bimetallic Platinum/Ruthenium Nanoclusters" @default.
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• W2040472719 doi "https://doi.org/10.1021/jp053557f" @default.
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• W2040472719 hasPublicationYear "2005" @default.
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