Origin of the Linear Relationship between CH/NH/O—SWNT Reaction Energies and Sidewall Curvature: Armchair Nanotubes.

The origin of the linear relationship between the reaction energy of the CH/NH/O exo and endo additions to armchair (n, n) single-walled carbon nanotubes (SWNTs) and the inverse tube diameter (1/d) measuring sidewall curvature was elucidated using density functional theory and density functional tig...

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Publicado en:	Journal of the American Chemical Society Vol. 128; no. 47; pp. 15117 - 15127
Autores principales:	Guishan Zheng, Zhi Wang, Irie, Stephan, Morokuma, Keiji
Formato:	Artículo
Publicado:	American Chemical Society 11/29/2006
Materias:	Nanotubes Chemical reactions Chemical processes Density functionals Functional analysis Potential energy surfaces
Acceso en línea:	Ver este registro en EBSCOhost