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- W2382106583 abstract "Molecular dynamics simulations were performed to study the behavior of alkanes on single wall carbon nanotube.The evolution of global bond-orientational order parameter and average angle between alkane molecule and nanotube axis were shown.Our results show that the four kinds of alkanes are all adsorbed on the nanotube surface and orient at a certain direction except butane.Nanotube sur-face affects the nearest adsorption alkane layer obviously.Alkane molecular bend during the adsorption process and tend to be zigzag-extended conformation after that.This will enrich the information of the research and application of materials based on alkane/carbon nanotube." @default.
- W2382106583 created "2016-06-24" @default.
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- W2382106583 date "2012-01-01" @default.
- W2382106583 modified "2023-09-25" @default.
- W2382106583 title "Molecular dynamics simulation study on the behavior of short alkanes on carbon nanotube surface" @default.
- W2382106583 hasPublicationYear "2012" @default.
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