2002
DOI: 10.1021/jp026470s
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Selective Interaction in a Polymer−Single-Wall Carbon Nanotube Composite

Abstract: Purification and enhanced processability of carbon nanotubes have previously been achieved through interaction with a conjugated polymer. In particular, microscopy and Raman spectroscopy indicate a selective interaction between single-walled carbon nanotubes and a conjugated polymer. Until now, there has been no extensive theoretical investigation into the interaction between polymer and carbon nanotubes. An atomistic molecular dynamics computer simulation in conjunction with experimental evidence is used to e… Show more

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Cited by 135 publications
(72 citation statements)
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“…The high energy imparted through the use of an ultrasonic horn enables large bundles of nanotubes to be physically separated, with the resultant individual tubes stabilised through non-covalent interactions with dispersant molecules [5,6]. Filtration of these dispersions onto a support membrane, using either vacuum or positive pressure, then results in formation of the buckypaper [7], which consists of a tangled bed of nanotubes with a range of pore sizes that are larger than those present in aligned CNT membranes.…”
Section: Introductionmentioning
confidence: 99%
“…The high energy imparted through the use of an ultrasonic horn enables large bundles of nanotubes to be physically separated, with the resultant individual tubes stabilised through non-covalent interactions with dispersant molecules [5,6]. Filtration of these dispersions onto a support membrane, using either vacuum or positive pressure, then results in formation of the buckypaper [7], which consists of a tangled bed of nanotubes with a range of pore sizes that are larger than those present in aligned CNT membranes.…”
Section: Introductionmentioning
confidence: 99%
“…This is not only mathematically interesting, but might also have technological consequences for the design of particularly stable polymer coated carbon nanotubes or other nanohybrid structures including SWCNTs and complex molecules [3,5,[37][38][39][40][41][42].…”
Section: Mapping Between Carbon Nanotubes and Polymer Tubesmentioning
confidence: 99%
“…One could obtain some useful information on this binding through classical molecular mechanics (MM) simulations on small segments of individual CNTs, as we have done using the COMPASS force field [27] on structures like Fig. 8(b), where chiral (12, 7) and (13, 6) CNTs were studied as specific examples [95].…”
Section: Cnt-polymer Compositesmentioning
confidence: 99%