Diameter-Selective Dispersion of Carbon Nanotubes via Polymers: A Competition between Adsorption and Bundling

Yang H, Bezugly V, Kunstmann J, Filoramo A, Cuniberti G (2015)

Publication Type: Journal article

Publication year: 2015

Journal

ACS nano American Chemical Society

Book Volume: 9

Pages Range: 9012-9019

Journal Issue: 9

DOI: 10.1021/acsnano.5b03051

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.

Involved external institutions

Technische Universität Dresden DE Germany (DE) Commissariat à l'énergie atomique FR France (FR)

How to cite

APA:

Yang, H., Bezugly, V., Kunstmann, J., Filoramo, A., & Cuniberti, G. (2015). Diameter-Selective Dispersion of Carbon Nanotubes via Polymers: A Competition between Adsorption and Bundling. ACS nano, 9(9), 9012-9019. https://dx.doi.org/10.1021/acsnano.5b03051

MLA:

Yang, Hongliu, et al. "Diameter-Selective Dispersion of Carbon Nanotubes via Polymers: A Competition between Adsorption and Bundling." ACS nano 9.9 (2015): 9012-9019.

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