THE STRUCTURE OF SMALL NICKEL CLUSTERS .1. NI-3-NI-15

The geometrical structure of small nickel clusters is probed via molecular adsorption of nitrogen on their surfaces. Nitrogen uptake patterns can be rationalized with the proposed structures if it is assumed that N-2 binds to every exposed nickel atom, that the binding energies decrease with increasing metal-metal coordination, and that atoms that are four or less coordinate can bind two nitrogen molecules. In some cases nitrogen adsorption causes a change in cluster structure, usually to one that can accommodate more nitrogen molecules. Cluster structures are proposed for all clusters (bare and nitrogenated) in the 3-15-atom size range except Ni-4 and Ni-11. The nitrogen uptake for Ni-4 is consistent with virtually any structure, and the data for Ni-11 could not be interpreted in terms of a specific structure. In general, nickel cluster structures are different from those found for rare gas clusters as well as those derived from bulk packing. A comparison of the experimental results with existing theoretical calculations is presented.