Structural transformations of carbon nanotubes under hydrostatic pressure

被引：89

作者：

Tangney, P ^{[1
]}

Capaz, RB

Spataru, CD

Cohen, ML

Louie, SG

机构：

[1] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA

[2] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA

[3] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA

[4] Univ Fed Rio de Janeiro, Inst Fis, BR-21941972 Rio De Janeiro, Brazil

来源：

NANO LETTERS | 2005年 / 5卷 / 11期

关键词：

D O I：

10.1021/nl051637p

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We used simulations with a classical force field to study the transformation under hydrostatic pressure of isolated single-walled nanotubes (SWNT) from a circular to a collapsed cross section. Small-diameter SWNTs deform continuously under pressure, whereas larger-diameter SWNTs display hysteresis and undergo a first-order-like transformation. The different behavior is due to the changing proportions in the total energy of the wall-curvature energy and the van der Waals attraction between opposite walls of the tube.

引用

页码：2268 / 2273

页数：6

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