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Simulating the effect of carbon nanotube curvature on adsorption of polycyclic aromatic hydrocarbons |
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| Authors: | Radosław P. Wesołowski Sylwester Furmaniak Artur P. Terzyk Piotr A. Gauden |
| Affiliation: | (1) Physicochemistry of Carbon Materials Research Group, Department of Chemistry, N. Copernicus University, Gagarin St. 7, 87-100 Toruń, Poland;(2) Centre for Advanced Microscopy, University of Reading, Whiteknights, Reading, RG6 6AF, UK;(3) Applied Physics, RMIT University, GPO Box 2476V, Melbourn, Victoria, 3001, Australia; |
| 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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