A structural model of one-dimensional thin silica nanowires

被引：16

作者：

Zhang, DJ ^{[1
]}

Zhang, RQ ^{[1
]}

机构：

[1] City Univ Hong Kong, Dept Phys & Mat Sci, Hong Kong, Hong Kong, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2004年 / 394卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2004.07.041

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：

We report a new structural model of silica molecular wire based on spiro union two-membered ring (SU-2MR) units. As revealed by density functional calculations, the SU-2MR wire is formed by parallel 2MRs bridged by oxygen atoms and is energetically more favorable, thermally more stable and chemically more reactive at the tip than the edge-sharing two-membered ring molecular chain proposed early. The SU-2MR molecular chain would be considered as an appropriate structural model of one-dimensional thin (0.4 nm) silica nanowires. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：437 / 440

页数：4

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