Medium-sized silicon oxide clusters by Si3O3-ring assembly

被引：26

作者：

Lu, WC

Wang, CZ ^{[1
]}

Ho, KM

机构：

[1] Iowa State Univ, Ames Lab, US Dept Energy, Ames, IA 50011 USA

[2] Iowa State Univ, Dept Phys, Ames, IA 50011 USA

[3] Jilin Univ, State Key Lab Theoret & Computat Chem, Changchun 130023, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2003年 / 378卷 / 3-4期

关键词：

D O I：

10.1016/S0009-2614(03)01219-3

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：

Using Si2O2 rhombuses and Si3O3 rings as building blocks, we have investigated the structures of medium-sized silicon oxide clusters. Total energies of a series of Si8On and Si12On clusters with different growth motifs have been studied using first-principles calculations. Our studies discover a new motif for medium-sized silicon oxide clusters in a form of wheel-like structure composed of Si3O3 rings. (C) 2003 Elsevier B.V. All rights reserved.

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页码：225 / 231

页数：7

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