Theoretical Study of Binding of Metal-Doped Graphene Sheet and Carbon Nanotubes with Dioxin.
Using density functional theory, we have theoretically studied dioxin binding on a graphene sheet or carbon nanotubes (CNT), finding that they can be effective adsorbents for dioxin in the presence of calcium atoms. This is due to a cooperative formation of sandwich complexes of graphene sheet or (5...
| Publicado en: | Journal of the American Chemical Society Vol. 127; no. 27; pp. 9839 - 9844 |
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| Formato: | Artículo |
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American Chemical Society
7/13/2005
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| Acceso en línea: | Ver este registro en EBSCOhost |