Solvent effect on functional groups attached to edges of carbon nanotubes

被引：13

作者：

Halicioglu, T ^{[1
]}

Jaffe, RL ^{[1
]}

机构：

[1] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA

来源：

NANO LETTERS | 2002年 / 2卷 / 06期

关键词：

D O I：

10.1021/nl0255449

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Molecular dynamics calculations are carried out to investigate the effect exerted by aqueous solutions on the equilibrium structure and configuration of functional groups attached to carbon nanotubes. In this study, structures of polar and nonpolar functional groups in water are analyzed. Energy changes associated with configurational transformations of functional groups (from folded to extended forms) in water are calculated. Results indicate that polar functional groups are energetically more stable in extended configurations. Nonpolar functional groups, on the other hand, prefer to remain folded.

引用

页码：573 / 575

页数：3

共 9 条

[1]

*CRC, 1997, CRC HDB CHEM PHYS, P6

[2] Effect of chemical functionalization on the mechanical properties of carbon nanotubes [J].