Bonding of Saturated Hydrocarbons to Metal Surfaces
2003 (English)In: Physical Review Letters, ISSN 0031-9007, Vol. 91, no 4, 046102- p.Article in journal (Refereed) Published
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.
Place, publisher, year, edition, pages
The American Physical Society , 2003. Vol. 91, no 4, 046102- p.
IdentifiersURN: urn:nbn:se:su:diva-23162DOI: 10.1103/PhysRevLett.91.046102OAI: oai:DiVA.org:su-23162DiVA: diva2:190458
Part of urn:nbn:se:su:diva-1712004-05-132004-05-132009-12-28Bibliographically approved