ROLE OF EXCESS ELECTRONS ON THE STABILITY OF METAL-CLUSTER HYDRIDES

被引：2

作者：

RAO, BK

KHANNA, SN

JENA, P

机构：

来源：

PHYSICAL REVIEW B | 1992年 / 45卷 / 23期

关键词：

D O I：

10.1103/PhysRevB.45.13631

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Total energies and equilibrium geometries of negatively charged metal clusters containing hydrogen (LinHm- and YHm-) have been calculated using the self-consistent molecular-orbital theory. The results indicate that the maximum hydrogen content of a cluster can be increased by adding electrons to the cluster. This enhanced stability of anionic cluster hydrides is found to be due to the preference of hydrogen to remain in an "anionic" form.

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页码：13631 / 13635

页数：5

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