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- W2318806318 abstract "While great efforts have been devoted to develop the application of carbon nanotube-ionic liquid (CNT-IL) complex systems in many scientific and technical areas, not much is known about the detailed interaction mechanism between IL and CNT. By performing density functional theory (DFT) calculations, the present work studies the binary system composed of a (8,0) single-walled CNT and 1-butyl-3-methylimidazolium hexafluorophosphate IL. Based on calculated geometrical and electronic structures of the tube with the cation, anion, and cation-anion pair of the IL, we have analyzed the interaction mechanism between the CNT and IL. It is indicated that the interaction between the CNT and IL is in a very suitable degree, which is stronger than the van der Waals forces between CNTs but is not so strong that the electronic property of the CNT is remarkably changed. The present results provide aid to some extent for understanding experimental findings that the IL can effectively disperse CNTs and protect the unique electronic property of CNTs." @default.
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- W2318806318 date "2011-01-01" @default.
- W2318806318 modified "2023-10-18" @default.
- W2318806318 title "Theoretical study of the interaction mechanism between single-walled carbon nanotubes and imidazolium-based ionic liquids" @default.
- W2318806318 doi "https://doi.org/10.1360/032010-22" @default.
- W2318806318 hasPublicationYear "2011" @default.
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