Accession Number : ADA114913

Title :   Further Studies on the Kinetics of Ni(CO) 4 Formation.

Descriptive Note : Final technical rept. 1 Dec 80-28 Feb 82,

Corporate Author : BATTELLE COLUMBUS LABS OH

Personal Author(s) : Redmon,Lynn T

PDF Url : ADA114913

Report Date : 23 Apr 1982

Pagination or Media Count : 37

Abstract : Semi-empirical calculations were performed for small clusters modelling the adsorption of CO on nickel (100), (110), and (111) surfaces at low and high coverage levels and on nickel-copper alloy (100) surfaces at low coverage. The bearing of the results upon the understanding of experimentally observed faceting and magnetization (Hedvall) effects is discussed. A preference for adsorption at multifold sites is observed at low coverage, and the (100) and (111) surfaces are predicted to be energetically smooth at high coverages. The results for alloy surfaces are qualitatively in agreement with experiment. (Author)

Descriptors :   *Reaction kinetics, *Adsorption, *Cobalt, *Nickel, Chemisorption, Surfaces, Copper nickel alloys, Magnetization, Clustering, Sizes(Dimensions), Bulk materials, Ligands, Catalysis

Subject Categories : Physical Chemistry
      Metallurgy and Metallography

Distribution Statement : APPROVED FOR PUBLIC RELEASE