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- W2206908640 endingPage "076101" @default.
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- W2206908640 abstract "A systematical study of the orientational behavior of C60 molecules in single wall carbon nanotubes (SWCNTs) with different chirality and diameter has been performed by using a model of an infinite long nanotube filled with two C60 (denoted as C60-1 and C60-2) molecules. We studied the preferred orientation of the C60-1 molecule when the neighboring C60-2 molecule was fixed at the pentagon, double-bond, and hexagon orientations respectively. Our results showed that the C60-1 molecule prefers the pentagon (hexagon) orientation when the tube diameter is smaller (larger) than 1.31 nm (1.36 nm). For the tube diameter in between, the preferred molecular orientation of C60-1 changes from pentagon to hexagon with the increasing tube diameter when the neighboring C60-2 molecule is fixed at the pentagon or double-bond orientation. A novel vertex orientation for the C60-1 molecule has been found when the C60-2 molecule is fixed at the hexagon orientation." @default.
- W2206908640 created "2016-06-24" @default.
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- W2206908640 date "2013-07-01" @default.
- W2206908640 modified "2023-09-27" @default.
- W2206908640 title "Preferred orientations of encapsulated C60molecules inside single wall carbon nanotubes" @default.
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- W2206908640 doi "https://doi.org/10.1088/1674-1056/22/7/076101" @default.
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