J Mater Sci Technol ›› 1994, Vol. 10 ›› Issue (1): 71-74.

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Ionization Potentials and Electron Affinities of Cu_n Atomic Clusters

Senyying LIU; Rongze HU and Chongyu WANG(Central Iron and Steel Research Institute, Beijing, 100081, China)   

  • Received:1994-01-28 Revised:1994-01-28 Online:1994-01-28 Published:2009-10-10

Abstract: Ionization potentials and electron affinities of Cux (n = 2-7) atomic clusters with the optimal geom etries have been calculated by use of SC F-Xa-SW method and Slater's transition state theory. Theo retical calcuIations show that the ionization potentiaIs and electron affinities of Cu. (n = 2-7) atom ic clusters have a sharp even / odd alternation with increasing their sizes, which are related to the electronic structure of Cun atomic clusters. The theoretical results are consistent with the related ex perimental ones.