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

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)

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Document Details

Document Type
Technical Report
Publication Date
Apr 23, 1982
Accession Number
ADA114913

Entities

People

  • Lynn T. Redmon

Organizations

  • Battelle Memorial Institute

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Adsorption
  • Agreements
  • Air Force
  • Catalysts
  • Chemical Compounds
  • Chemical Kinetics
  • Chemistry
  • Computational Chemistry
  • Dielectric Gases
  • Electrons
  • First Principles Calculations
  • Magnetic Materials
  • Magnetization
  • Materials Laboratories
  • Materials Science
  • Physical Chemistry
  • Quantum Chemistry

Fields of Study

  • Physics

Readers

  • Electrochemical Engineering/ Fuel Cell Technologies
  • Powder metallurgy of Titanium alloys.
  • Quantum Chemistry