Proper dispersion of carbon nanotubes (CNTs) is important to retain the electronic properties for bundle engineering. Experimentally it has been shown that salts can regulate the dispersing properties of CNTs in the aqueous system with surfactants, however, the mechanisms have not been sufficiently explored. In this study, the effects of salts on dispersion stability of CNTs are examined using molecular dynamics simulations. We report results for the potential of mean force (PMF) between two (10,10) single-walled carbon nanotubes (SWNTs) using different salt solution. Addition of salts reduces the depth of the potential well for SWNTs to self-assemble into bundles. The cause of difference well depth by distinct salts is investigated with the decomposition of the corresponding contributions. It is also shown that this effect is enhanced with the increase of salt concentration, representing the possibility to control the size of CNT bundles by manipulating the salt concentration.

Role of spatial ionic distribution on the energetics of carbon nanotube bundle formation

243rd National Meeting (2012)

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