title: Sidewall epoxidation of single-walled carbon nanotubes: a theoretical prediction.
abstract: [reaction: see text] 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.
authors.affiliation: State Key Laboratory for Physical Chemistry of Solid Surface & Center for Theoretical Chemistry, Department of Chemistry, Xiamen University, Xiamen 361005, China. xinlu@xmu.edu.cn
authors.forename: Xin
authors.initials: X
authors.lastname: Lu
authors.forename: Qinghong
authors.initials: Q
authors.lastname: Yuan
authors.forename: Qianer
authors.initials: Q
authors.lastname: Zhang