Bonding of saturated hydrocarbons to metal surfaces |
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Authors: | Oström H Triguero L Nyberg M Ogasawara H Pettersson L G M Nilsson A |
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Affiliation: | FYSIKUM, Stockholm University, Albanova University Center, SE-106 91 Stockholm, Sweden. |
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Abstract: | The adsorption of octane on Cu(110) was studied by x-ray absorption and x-ray emission spectroscopy, in combination with spectrum calculations in the framework of density functional theory, as a model system for alkane adsorption on transition metals. Significant electron sharing between the adsorbate and metal surface and involvement of both bonding and antibonding C-H molecular orbitals in the molecule-metal bond was found. The calculations were extended to the case of octane adsorbed on Ni(110), and the position of the metal d band was found to be important for the bonding. The results were generalized to show that this is important for the efficiency as an alkane dehydrogenation catalyst. |
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