Temperature-induced unfolding of scrolled graphene and folded graphene

L. J. Yi; Y. Y. Zhang; C. M. Wang; T. C. Chang

doi:10.1063/1.4879295

Temperature-induced unfolding of scrolled graphene and folded graphene

L. J. Yi, Y. Y. Zhang, C. M. Wang, T. C. Chang

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22 Citations (Scopus)

Abstract

Different morphologies of graphene can provide a great potential for applications of graphene-based nano-devices and functional nano-materials. Using molecular dynamic simulations, we show that by altering the temperature, one can induce unfolding of short (length less than âˆ¼50 nm) scrolled or folded graphene to a planar state. The mechanism of these phenomena is that temperature modifies the stability of these unclosed structures. We show in particular that morphology transformation of graphene is not explained by the change of the potential energy of the system, but rather it can be explained by a free energy analysis based on thermal dynamics.

Original language	English
Article number	204307
Number of pages	6
Journal	Journal of Applied Physics
Volume	115
Issue number	20
DOIs	https://doi.org/10.1063/1.4879295
Publication status	Published - 2014

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AU - Zhang, Y. Y.

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N2 - Different morphologies of graphene can provide a great potential for applications of graphene-based nano-devices and functional nano-materials. Using molecular dynamic simulations, we show that by altering the temperature, one can induce unfolding of short (length less than âˆ¼50 nm) scrolled or folded graphene to a planar state. The mechanism of these phenomena is that temperature modifies the stability of these unclosed structures. We show in particular that morphology transformation of graphene is not explained by the change of the potential energy of the system, but rather it can be explained by a free energy analysis based on thermal dynamics.

AB - Different morphologies of graphene can provide a great potential for applications of graphene-based nano-devices and functional nano-materials. Using molecular dynamic simulations, we show that by altering the temperature, one can induce unfolding of short (length less than âˆ¼50 nm) scrolled or folded graphene to a planar state. The mechanism of these phenomena is that temperature modifies the stability of these unclosed structures. We show in particular that morphology transformation of graphene is not explained by the change of the potential energy of the system, but rather it can be explained by a free energy analysis based on thermal dynamics.

UR - http://handle.uws.edu.au:8081/1959.7/547837

U2 - 10.1063/1.4879295

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Temperature-induced unfolding of scrolled graphene and folded graphene

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