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Dynamics of graphene nanoribbon with carbon nanotubes coexisting with [Bmim][Cl] molecules

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Abstract

Molecular dynamics simulations have been performed to investigate the dynamics of graphene nanoribbon (GNR) on single-walled carbon nanotubes (SWNTs) coexisting with 1-butyl-3-methylimidazolium chloride ([Bmim][Cl]). The results indicate that in the wrapping and encapsulating processes when GNR interacts with SWNT, [Bmim][Cl] has an extremely different dynamics, showing an interesting dependence on tube size. Two GNRs can easily bring the [Bmim][Cl] into the hollow area of the formed double helix in the SWNT. The sequence of the interaction between these substances is E GNR-SWNT > E GNR-[Bmim][Cl] > E [Bmim][Cl]-SWNT. A high temperature will hinder the wrapping dynamics behavior of the GNR and even militate against the insertion dynamics of [Bmim][Cl]. The [Bmim][Cl] has nearly no effect on the dynamics of GNR on SWNT. Furthermore, the GNR can transport [Bmim][Cl] in the SWNT by expelling them. The proposed discoveries eventually provide a powerful way to fabricate nanoscale materials and devices and eventually tune their properties.

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Acknowledgments

This work was financially supported by the National Natural Science Foundation of China (Grant No. 51302126), the Natural Science Foundation of Shandong Province, China (Nos. ZR2013EMM001 and ZR2013AL008), and the Startup Foundation for Doctoral Research of Linyi University, Shandong Province, China (No. LYDX2013BS004).

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  1. College of Mechanical Engineering, Linyi University, Linyi, 276005, Shandong, China

    Yunfang Li

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Li, Y. Dynamics of graphene nanoribbon with carbon nanotubes coexisting with [Bmim][Cl] molecules. Appl. Phys. A 120, 1331–1337 (2015). https://doi.org/10.1007/s00339-015-9313-y

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  • DOI: https://doi.org/10.1007/s00339-015-9313-y

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