Article ID Journal Published Year Pages File Type
5376680 Chemical Physics 2006 7 Pages PDF
Abstract
New carbon nanocomposites, which are constructed from fullerene isomers connected by open-end carbon nanotube segments, are proposed. Using tight-binding Monte Carlo simulations, a series of one-, two- and three-dimensional carbon networks and isolated dumbbell-like structures are obtained. Their structural properties at room temperature are systematically analyzed. The calculation results show that all the composites are stable. And among them, the structure connected by C60 with Ih symmetry and (6, 0) nanotube segments is most stable. The calculated energies show that the one-dimensional linear structures are energetically more favorable than the corresponding dumbbell-like structures. However, the latter shows better mechanical properties and thermal stability.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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