Nano Science and Technology Institute
Nanotech 2010 Vol. 3
Nanotech 2010 Vol. 3
Nanotechnology 2010: Bio Sensors, Instruments, Medical, Environment and Energy
Chapter 9: Water, Oil, Gas & Bio Energy

The influence of surface termination on growth of cupper clusters

Authors:L. Xiao, J. Srinivasan, L. Subramanian
Affilation:Accelrys, Inc, US
Pages:642 - 645
Keywords:Cu, alumina, catalyst, nanoparticle
Abstract:Oxide supported transition metal catalysts are widely used in variety of heterogeneous catalytic processes. Knowledge of the interaction of metals with oxide surfaces provides insight into understanding a broad variety of properties of the catalysts. However, relatively little is known about the interfaces due to lack of experimental evidence. In our work, the interaction between cupper clusters and -alumina (0001) surface were studied using density functional theory. We report the most energetically preferred structures and adsorption sites for Cu clusters on the aluminum-terminated -alumina surface which is demonstrated as the most stable (0001) surface.[2] Little effort has been made to investigate the environmental effect on the adsorption of Cu clusters on the -alumina (0001) surface. We examined adsorption of Cu clusters on fully hydroxylated -alumina surface and compared the results with that of the “dry” surface. The Cu-alumina system may serve as a prototype interface to help us establish knowledge on growth pathway of supported metal clusters.
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