Electronic and structural features of Pd3 cluster on MgO(100) surface cluster

被引：12

作者：

Yamauchi, R ^{[1
]}

Gunji, I ^{[1
]}

Endou, A ^{[1
]}

Yin, XL ^{[1
]}

Kubo, M ^{[1
]}

Chatterjee, A ^{[1
]}

Miyamoto, A ^{[1
]}

机构：

[1] Tohoku Univ, Fac Engn, Dept Mol Chem & Engn, Aoba Ku, Sendai, Miyagi 98077, Japan

来源：

APPLIED SURFACE SCIENCE | 1998年 / 130卷

关键词：

Pd; metal cluster; MgO; interaction site; interatomic distance;

D O I：

10.1016/S0169-4332(98)00117-2

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The structural characters and the electronic features of Pd-3 cluster on the MgO(100) surface cluster were investigated by performing density functional calculations. The geometric features of the cluster shape of the Pd-3 cluster depended on the kinds of neighboring atoms interacting with the Pd atoms. The metal-support interatomic distance was compared with experimental results and the quantitative consistency was found. The dissociation of the Pd-3 cluster occurred, indicating the way of the bond breaking of metal cluster. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：572 / 575

页数：4

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