The nature of the NH3 molecule adsorption and dissociation on small Si
clusters surface has been studied using the DV-X alpha method. We als
o present possible dissociation paths and their energy barriers of the
adsorbed NH3 molecule, and confirm the view that NH3 cannot dissociat
e on the small Si cluster surfaces. (C) 1998 Published by Elsevier Sci
ence B.V.