Mechanical properties of functionalized carbon nanotubes

doi:10.1088/0957-4484/19/39/395702

Mechanical properties of functionalized carbon nanotubes

Z Q Zhang et al 2008 Nanotechnology 19 395702 (6pp) doi: 10.1088/0957-4484/19/39/395702

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Z Q Zhang¹, B Liu^1,5, Y L Chen¹, H Jiang², K C Hwang¹ and Y Huang^3,4,5
¹ FML, Department of Engineering Mechanics, Tsinghua University, Beijing 100084, People's Republic of China
² Department of Mechanical and Aerospace Engineering, Arizona State University, Tempe, AZ 85287, USA
³ Department of Civil and Environmental Engineering, Northwestern University, Evanston, IL 60208, USA
⁴ Department of Mechanical Engineering, Northwestern University, Evanston, IL 60208, USA
⁵ Authors to whom any correspondence should be addressed
E-mail: liubin@tsinghua.edu.cn and y-huang@northwestern.edu

Abstract. Carbon nanotubes (CNTs) used to reinforce polymer matrix composites are functionalized to form covalent bonds with the polymer in order to enhance the CNT/polymer interfaces. These bonds destroy the perfect atomic structures of a CNT and degrade its mechanical properties. We use atomistic simulations to study the effect of hydrogenization on the mechanical properties of single-wall carbon nanotubes. The elastic modulus of CNTs gradually decreases with the increasing functionalization (percentage of C–H bonds). However, both the strength and ductility drop sharply at a small percentage of functionalization, reflecting their sensitivity to C–H bonds. The cluster C–H bonds forming two rings leads to a significant reduction in the strength and ductility. The effect of carbonization has essentially the same effect as hydrogenization.

Print publication: Issue 39 (1 October 2008)
Received 4 May 2008, in final form 20 July 2008
Published 11 August 2008

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