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Graphene Wrinkles affect electronic transport in nanocomposites: Insight from molecular dynamics simulations
Yu-Ren Huang1, Cheng-Lung Chen2, Yu-Hui Tseng2
1Department of Applied Science, R.O.C. Naval Academy, No. 669, Junxiao Rd., Zuoying District, Kaoshiung City 813, Taiwan, ROC.
Abstract:
Molecular dynamics (MD) simulations were carried out to study the physical properties of graphene-oxide (GO) and polydimethylsiloxane (PDMS) interfacial systems. Simulations were performed for GO molecules dispersed into short-chain, long-chain, and long-chain and cross-linked PDMS polymers. Various structural properties, dipole moments and dielectric constants of the graphene-oxide molecules were calculated, which were correlated with the electron transport properties of the GO/PDMS system. The effects of polymer length and type of linkage on transport properties were also examined.
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