Adsorption Study of Cyanate Ion on the Single-wall BC2N Nanotubes: a Computational Study

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Title	Adsorption Study of Cyanate Ion on the Single-wall BC2N Nanotubes: a Computational Study
Authors	Baei, M.T. Torabi, P.
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Keywords	MS Word Template Style Font Menu Equation Figure Reference Table
Type	Conference Papers
Date of Issue	2012
URI	http://essuir.sumdu.edu.ua/handle/123456789/35181
Publisher	Sumy State University
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Citation	Baei, M. T. Adsorption Study of Cyanate Ion on the Single-wall BC2N Nanotubes: a Computational Study / M. T. Baei, P. Torabi // Nanomaterials: Applications & Properties (NAP-2012) : 2-nd International conference, Alushta, the Crimea, September 17-22, 2012 / Edited by: A. Pogrebnjak. - Sumy : Sumy State University, 2012. - V. 1, No3. - 03PCSI17
Abstract	Cyanate adsorption on the external surface of H-capped (6,0) zigzag single-walled BC2N nanotube was studied by using density functional theory calculations. We present the nature of the cyanate interaction in different sites of the nanotube. This nanotube can absorb the cyanate ion in its pristine form without manipulating its structure through doping, chemical functionalization, making defect, etc, and the nanotube can be used as cyanate storage. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/35181
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