Theory of C2Hx Species on Pt{110}(1 × 2):  Structure, Stability, and Thermal Chemistry

The adsorption of C2Hx (x=0-5) hydrocarbon fragments on Pt{110}(1x2) has been investigated using calculations based on density functional theory. For all the species, the most stable adsorption site identified completes the tetravalency of each carbon atom and involves the maximum possible number of...

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Bibliographic Details
Published inThe journal of physical chemistry. B Vol. 110; no. 9; pp. 4147 - 4156
Main Authors ANGHEL, Alexandra T., JENKINS, Stephen J., WALES, David J., KING, David A.
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 09.03.2006
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