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
收藏
页码：437 / 440
页数：4
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