Abstract
The results of Molecular Dynamics simulation of polycyclic aromatic hydrocarbons adsorption on single-walled (13,9) carbon nanotube are reported. We discuss the angular orientation and plausible adsorbed states of molecules. It is shown, that suggested by Gotovac et al. orientation of adsorbed molecules is correct.
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Open Access This is an open access article distributed under the terms of the Creative Commons Attribution Noncommercial License (https://creativecommons.org/licenses/by-nc/2.0), which permits any noncommercial use, distribution, and reproduction in any medium, provided the original author(s) and source are credited.
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Wesołowski, R.P., Furmaniak, S., Terzyk, A.P. et al. Simulating the effect of carbon nanotube curvature on adsorption of polycyclic aromatic hydrocarbons. Adsorption 17, 1–4 (2011). https://doi.org/10.1007/s10450-010-9266-6
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DOI: https://doi.org/10.1007/s10450-010-9266-6