THE ADSORPTION AND DISSOCIATION OF AMMONIA ON THE SI-10 CLUSTER-SURFACE

The nature of NH3 molecule adsorption and dissociation on the Si-10 cl uster surface has been studied by the DV-X-alpha method. Two isomers o f Si-10 are considered. The calculated results show that there are dif ferent bond characters between T-d Si-10 and C-3v Si-10. We also prese nt possible dissociation paths and their energy barriers for the adsor bed NH3 molecule, and confirm the view that NH3 cannot dissociate on e ither T-d Si-10 or C-3v Si-10 surfaces.