Cluster Theory of Atomic and Molecular Chemisorptions on Ni and Cu

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概要

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• Atomic (O, S, Se) and molecular (NO, 0.) chemisorptions on Ni and Cu arestudied using the discrete variational Xct cluster method. The calculated clusterlevels are in good agreement with experimental UPS peaks for correspondingchemisorption systems. The atomic and ntolecu[ar chemisorptions are describcdin a similar way by the electron donation and the backdonation. The adsorbatelevel positions relative to the metal band are very important in chemisorptionmechanism. For atomic chemisorptions, the net charge on adatom and thecovalency between adatom and metal gradually increase on going from 0 to Se.For molecular chemisorptions, the a-donation is predominant and the adsorbatesbecome positive contrary to the case of CO chemisorption.

• 社団法人日本物理学会の論文
• 1979-12-15

著者

• Adachi Hirohiko

  Department Of Chemistry Hyogo University Of Teacher Education

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