The structure of small nickel clusters. I. Ni[sub 3]--Ni[sub 15]

Journal Article · Sun May 15 04:00:00 EDT 1994 · Journal of Chemical Physics; (United States)

DOI:https://doi.org/10.1063/1.466868· OSTI ID:5094467

Parks, E K; Zhu, L; Ho, J; Riley, S J ^[1]

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1. Chemistry Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

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[sub 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[sub 4] and Ni[sub 11]. The nitrogen uptake for Ni[sub 4] is consistent with virtually any structure, and the data for Ni[sub 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.

• Research Organization: Argonne National Laboratory (ANL), Argonne, IL
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 5094467
• Journal Information: Journal of Chemical Physics; (United States), Journal Name: Journal of Chemical Physics; (United States) Vol. 100:10; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360102* -- Metals & Alloys-- Structure & Phase Studies
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
ADSORPTION
ATOMIC CLUSTERS
BINDING ENERGY
CHEMICAL PROPERTIES
ELEMENTS
ENERGY
GEOMETRY
MATHEMATICS
METALS
NICKEL
NITROGEN
NONMETALS
PROBES
SORPTION
STRUCTURAL MODELS
TRANSITION ELEMENTS