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摘要
Adsorption of ethylene (C2H4) on stepped Cu(410) surface was investigated with infrared reflectionabsorption spectroscopy, temperature-programmed desorption, and density functional theory calculations. At 93 K, ethylene adsorbs molecularly on Cu(410) and forms three different p-bonded species, all of which desorb below 230 K. Even though this finding straightforwardly suggests that the three species correspond to ethylene adsorbed at the step-edge and at the two different terrace atoms, a more detailed analysis reveals this is not the case. Instead, the origin of the three species stems from the interplay between (i) strong preference of ethylene to adsorb at the step-edge, (ii) significant intermolecular repulsion between the ethylene adsorbed at the adjacent step-edge sites, and (iii) the random adsorption on the terrace sites. Recent experimental studies have suggested that ethylene is dehydrogenated on Cu(410) due to the open step-edges (Kravchuk et al. J. Phys. Chem. C 2009, 113, 20881). The present data confirm the occurrence of dehydrogenation but not the formation of a di-s-bonded ethylene.
- 出版日期2014-11-27
