title: Bonding of saturated hydrocarbons to metal surfaces.
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.
authors.affiliation: FYSIKUM, Stockholm University, Albanova University Center, SE-106 91 Stockholm, Sweden.
authors.forename: H
authors.initials: H
authors.lastname: Oström
authors.forename: L
authors.initials: L
authors.lastname: Triguero
authors.forename: M
authors.initials: M
authors.lastname: Nyberg
authors.forename: H
authors.initials: H
authors.lastname: Ogasawara
authors.forename: L G M
authors.initials: LG
authors.lastname: Pettersson
authors.forename: A
authors.initials: A
authors.lastname: Nilsson