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Graphene Wrinkles affect electronic transport in nanocomposites: Insight from molecular dynamics simulations.
Huang, Yu-Ren; Chen, Cheng-Lung; Tseng, Yu-Hui; Chang Chien, Chung-Te; Liu, Chuan-Wen; Tai, Chung-Chieh; Liu, Min-Hsien.
Afiliação
  • Huang YR; Department of Applied Science, R.O.C. Naval Academy, No. 669, Junxiao Rd., Zuoying District, Kaoshiung City 813, Taiwan, ROC. Electronic address: g971101@yahoo.com.tw.
  • Chen CL; Department of Chemistry, National Sun Yat-Sen University, Kaohsiung, Taiwan, ROC, 80424.
  • Tseng YH; Department of Chemistry, National Sun Yat-Sen University, Kaohsiung, Taiwan, ROC, 80424.
  • Chang Chien CT; Department of Chemistry, National Sun Yat-Sen University, Kaohsiung, Taiwan, ROC, 80424.
  • Liu CW; Department of Chemical and Materials Engineering, Chung-Cheng Institute of Technology, National Defense University, Taoyuan 335, Taiwan, ROC.
  • Tai CC; Department of Marine Mechanical Engineering, R.O.C Naval Academy, No. 669, Junxiao Rd., Zuoying District, Kaoshiung City 813, Taiwan, ROC.
  • Liu MH; Department of Chemical and Materials Engineering, Chung-Cheng Institute of Technology, National Defense University, Taoyuan 335, Taiwan, ROC.
J Mol Graph Model ; 92: 236-242, 2019 11.
Article em En | MEDLINE | ID: mdl-31404877
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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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Transporte de Elétrons / Nanocompostos / Simulação de Dinâmica Molecular / Grafite Idioma: En Ano de publicação: 2019 Tipo de documento: Article
Texto completo
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XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Transporte de Elétrons / Nanocompostos / Simulação de Dinâmica Molecular / Grafite Idioma: En Ano de publicação: 2019 Tipo de documento: Article