Please use this identifier to cite or link to this item: https://doi.org/10.1039/c3nr03964a
Title: Covalent-organic framework as a template to assemble carbon nanotubes into a high-density membrane: Computational demonstration
Authors: Hu, Z.
Jiang, J. 
Issue Date: 21-Jan-2014
Source: Hu, Z., Jiang, J. (2014-01-21). Covalent-organic framework as a template to assemble carbon nanotubes into a high-density membrane: Computational demonstration. Nanoscale 6 (2) : 772-777. ScholarBank@NUS Repository. https://doi.org/10.1039/c3nr03964a
Abstract: Carbon nanotube (CNT) membranes have a wide range of important technological applications; however, the fabrication of high-density CNT membranes is challenging. Using molecular simulation, we demonstrate that a covalent-organic framework (COF-8) can act as a template promoting (9, 9) CNTs to assemble into a homogeneous high-density membrane. Surprisingly, the templated assembly is unique for (9, 9) CNTs and not observed for smaller or larger CNTs. The microscopic analysis based on the potential of mean force reveals that the highly selective assembly of (9, 9) CNTs into COF-8 is thermodynamically favorable, in contrast to other CNTs. This proof-of-concept computational study proposes a bottom-up strategy to produce high-density CNT membranes, and has a significant implication in CNT applications. © 2013 The Royal Society of Chemistry.
Source Title: Nanoscale
URI: http://scholarbank.nus.edu.sg/handle/10635/63675
ISSN: 20403364
DOI: 10.1039/c3nr03964a
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