THERMAL-STABILITY OF SUPPORTED METAL-CLUSTERS

被引：24

作者：

ANTONELLI, A

KHANNA, SN

JENA, P

机构：

[1] Physics Department, Virginia Commonwealth University, Richmond

来源：

PHYSICAL REVIEW B | 1993年 / 48卷 / 11期

关键词：

D O I：

10.1103/PhysRevB.48.8263

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Using ab initio many-body potentials and the molecular-dynamics method, we have studied the effect of temperature on the structural integrity of a 55-atom Be cluster in free space as well as when supported on a metal substrate. The melting point of the free cluster is found to be significantly lower than that of the bulk. The melting point of the supported cluster, however, is difficult to interpret due to the strong interaction between the cluster and the substrate. The structure of the cluster undergoes significant rearrangement even at 0 K. Thus the melting point of a supported cluster determined from its change of shape, as is usually done in experimental analysis, can provide misleading information.

引用

页码：8263 / 8266

页数：4

共 21 条

[1] EXPERIMENTAL-EVIDENCE FOR QUASIMELTING IN SMALL PARTICLES [J].