publication . Preprint . 2012

Structure of Carbon Nanotube-dendrimer composite

Vasumathi, V.; Pramanik, Debabrata; Sood, A. K.; Maiti, Prabal K;
Open Access English
  • Published: 13 Dec 2012
Abstract
Using all atomistic molecular dynamics (MD) simulations we report the microscopic picture of the nanotube-dendrimer complex for PAMAM dendrimer of generation 2 to 4 and carbon nanotube of chirality (6,5). We find compact wrapping conformations of dendrimer onto the nanotube surface for all the three generations of PAMAM dendrimer. The degree of wrapping is more for non-protonated dendrimer compared to the protonated dendrimer. For comparison we also study the interaction of another dendrimer, poly(propyl ether imine) (PETIM), with nanotube and show that PAMAM dendrimer interacts strongly as compared to PETIM dendrimer as is evident from the distance of closest a...
Subjects
arXiv: Condensed Matter::Soft Condensed MatterQuantitative Biology::BiomoleculesCondensed Matter::Materials ScienceCondensed Matter::Mesoscopic Systems and Quantum Hall Effect
free text keywords: Condensed Matter - Soft Condensed Matter
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