您当前所在位置: 首页 > 学者

胡征

  • 79浏览

  • 0点赞

  • 0收藏

  • 0分享

  • 130下载

  • 0评论

  • 引用

期刊论文

The Electronic Structures and Formation Mechanisms of the Single-Walled BN Nanotube with Small Diameter

胡征Hua Xu Jing Ma* Xin Chen Zheng Hu Kaifu Huo and Yi Chen

J. Phys. Chem. B, Vol. 108, No.13, 2004 4025,-0001,():

URL:

摘要/描述

A possible smallest single-walled BN nanotube with the diameter of 0.4nm is proposed. The studied nanotube is of armchair (3,3) and thought to be associated with the BN fullerene, B12N12. We have applied the ab initio MP2/6-31G//HF/6-31G method to investigate the growth mechanisms of this nanotube from B12N12. Our results show that a B12N12 fullerene may react with B2H6 and NH3 to form an armchair (3,3) tubular structure under certain experimental conditions such as high temperature. The armchair (3,3) tube can continuously incorporate B and N atoms to grow and can also disassociate H2 to close into a half-B12N12 cap. The growth of the tube is predicted to be favorable to the capping of the tube in an atmosphere with B2H6 and NH3 in it. And the cap of the tube is relatively easier to be opened by H2 or B2H6 and NH3 to convert to a growing open-ended tube.

关键词:

【免责声明】以下全部内容由[胡征]上传于[2006年06月10日 01时06分38秒],版权归原创者所有。本文仅代表作者本人观点,与本网站无关。本网站对文中陈述、观点判断保持中立,不对所包含内容的准确性、可靠性或完整性提供任何明示或暗示的保证。请读者仅作参考,并请自行承担全部责任。

我要评论

全部评论 0

本学者其他成果

    同领域成果