Structure-reactivity relationships of metal oxide clusters as foundations for the development and design of nanoscale catalytic materials

The objective of this project is to lay the scientific foundation for design and ultimate synthesis of nanoscale catalytic materials that will have the ability to direct the course of a chemical reaction along a desired pathway. It is becoming increasingly recognized that the study of cluster materials of specific stoichiometry can help elucidate the physical and chemical properties of condensed phase catalysts and, can provide detailed insight into the mechanisms of reactions and the nature of various reaction sites that enables certain catalytic materials to be especially effective. Also, the possible direct use of nanoscale clusters as catalysts has aroused interest due to the difference in reactivities often observed for nanoscale materials compared to conventional bulk catalysts. Emphasis will be placed on the study of materials comprised of mixed transition metal oxides to unreal the influence of catalyst-support interactions which have been found to be important. The goal is to identify the interplay of such factors as size and stoichiometry, composition, charge- and oxidation-states, structural and electronic properties and their influence on activity and selectivity of catalytic materials in which the role of active sites and the support will be taken into account.