Sidewall epoxidation of single-walled carbon nanotubes: A theoretical prediction

被引:23
作者
Lu, X [1 ]
Yuan, QH
Zhang, QN
机构
[1] Xiamen Univ, State Key Lab Phys Chem Solid Surface, Xiamen 361005, Peoples R China
[2] Xiamen Univ, Ctr Theoret Chem, Dept Chem, Xiamen 361005, Peoples R China
关键词
D O I
10.1021/ol035407y
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
[GRAPHICS] By means of a two-layered ONIOM approach, we predict that sidewall epoxidation of single-walled carbon nanotubes (SWNTs) with dioxiranes is viable. The SWNT epoxides thus produced could be precursors for further chemical modification of SWNTs, given the abundant and well-established chemistry of organic epoxides. This opens the door for routine chemical manipulation of SWNTs.
引用
收藏
页码:3527 / 3530
页数:4
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