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

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

*此作品的通讯作者

科研成果: 期刊稿件文章同行评审

2 引用 (Scopus)

摘要

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.

源语言英语
页(从-至)1629-1634
页数6
期刊Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities
29
8
出版状态已出版 - 8月 2008

指纹

探究 'Relationship between electron affinity/hardness and the clusters size of Vn/Crn clusters' 的科研主题。它们共同构成独一无二的指纹。

引用此