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• W2072012009 startingPage "5909" @default.
• W2072012009 abstract "The chemisorption of methane dissociation intermediates, CHx (x = 0−3), on Pt{110}(1 × 2) has been investigated using calculations based on density functional theory. For all species considered, the most stable adsorption site identified on the missing-row reconstructed (1 × 2) surface is the site that not only completes the tetravalency of the carbon atom but also involves the maximum number of ridge Pt atoms for a site of that type. Thus, methyl (CH3) preferentially occupies the ridge atop site; methylene (CH2), the ridge bridge site; methylidyne (CH), the fcc 3-fold site on the {111} microfacet; and carbon, the pseudosubsurface 4-fold site at the bottom of the trough. A comparison of the relative stability of the chemisorbed CHx (x = 0−3) species reveals that CH is the most stable dissociation intermediate on Pt{110}(1 × 2)." @default.
• W2072012009 created "2016-06-24" @default.
• W2072012009 creator A5003549501 @default.
• W2072012009 creator A5071689431 @default.
• W2072012009 creator A5086062034 @default.
• W2072012009 date "2004-04-15" @default.
• W2072012009 modified "2023-10-16" @default.
• W2072012009 title "Theory of Methane Dehydrogenation on Pt{110}(1 × 2). Part I: Chemisorption of CH<i>_x</i>(<i>x</i>= 0 −3)" @default.
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• W2072012009 doi "https://doi.org/10.1021/jp037880z" @default.
• W2072012009 hasPublicationYear "2004" @default.
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