DISSOCIATIVE CHEMISORPTION OF D2 ON A NI13 CLUSTER

被引：25

作者：

JELLINEK, J

GUVENC, ZB

机构：

[1] Argonne National Laboratory, Chemistry Division, Argonne, 60439, IL

来源：

ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1991年 / 19卷 / 1-4期

关键词：

STRUCTURAL ISOMERS; METAL CLUSTER; REACTIVITY; C2H4; H-2;

D O I：

10.1007/BF01448331

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070305 [高分子化学与物理];

摘要：

Selected characteristic results of a quasiclassical trajectory study of dissociative adsorption of a D2 molecule on a Ni13 cluster are presented. These include detailed probabilities as functions of the impact parameter and of the relative translational energy of D2, and cross sections as functions of this energy. The roles of the initial rovibrational state of the D2 molecule and of the initial temperature of the cluster are examined. The effect of freezing the cluster into a rigid geometry is tested.

引用

收藏

页码：371 / 373

页数：3

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