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Diameter-Selective Dispersion of Carbon Nanotubes via Polymers: A Competition between Adsorption and Bundling | | Hongliu Yang
; Viktor Bezugly
; Jens Kunstmann
; Arianna Filoramo
; Gianaurelio Cuniberti
; | | Date: |
1 Sep 2015 | | Abstract: | The mechanism of the selective dispersion of single-walled carbon nanotubes
(CNTs) by polyfluorene polymers is studied in this paper. Using extensive
molecular dynamics simulations, it is demonstrated that diameter selectivity is
the result of a competition between bundling of CNTs and adsorption of polymers
on CNT surfaces. The preference for certain diameters corresponds to local
minima of the binding energy difference between these two processes. Such
minima in the diameter dependence occur due to abrupt changes in the CNT’s
coverage with polymers and their calculated positions are in quantitative
agreement with preferred diameters, reported experimentally. The presented
approach defines a theoretical framework for the further understanding and
improvement of dispersion/extraction processes. | | Source: | arXiv, 1509.0272 | | Services: | Forum | Review | PDF | Favorites | |
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