D-Band Surface States on Wide Band Gap Insulators. A Conceptual Model for Surface States and Catalysis on d-Band Perovskites.
Abstract
This paper proposes a conceptual model to describe some of the factors believed to be most important in catalyzing a reaction on a transition metal oxide. An hypothetical situation is constructed from a model reaction, the dimerization of ethylene to form cyclobutane, and a model perovskite, SrTiO3. A detailed discussion is given of the symmetry imposed energy barrier for the gas phase reaction. Using SrTiO3 as an example, it is shown that the perovskites possess highly localized, atomic-like d surface states of the required symmetry. Two semiquantitative examples are developed for the catalyzed dimerization of ethylene on the (100) surface of SrTiO3. A preliminary discussion is given of the role played by surface potentials in promoting the reaction.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 06, 1975
- Accession Number
- ADA005783
Entities
People
- F. J. Morin
- T. Wolfram