Relationship between electron affinity/hardness and the clusters size of Vn/Crn clusters

Xiao Qin Nie*, Wen Guo Xu, Shi Xiang Lu

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

The relationship between the electron affinities, the hardness and the clusters size was studied for Vanadium clusters and Chromium clusters. According to the Spheroidal Jellium Model, a new formula EA (R) = W-ae2/R-b/R2 (R = rsN1/3), which relates to the relationship of EA vs. n, is put forward with considering the polarization, the d-s hybridization in the atoms (or molecules) and the screening effect on the surface. Then the EA values at the infinite size are close to the metal's work functions, and an excellent fitness is obtained that the EA values are accorded with EA (R) = W-ae2/R-b/R2 well even in small size clusters. Meanwhile, the clusters which changed to the bulk metallic clusters are began at V18 and Cr21, and the structures of some abnormal clusters V5, V7, V9, V13, Cr6, Cr10 and Cr17 are analyzed in detail.

Original languageEnglish
Pages (from-to)1629-1634
Number of pages6
JournalKao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities
Volume29
Issue number8
Publication statusPublished - Aug 2008

Keywords

  • Chromium cluster
  • Electron affinity
  • Hardness
  • Vanadium cluster

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