A 'Scorpion' like SWNT/carbon sheet molecular trap

Aned de Leon; Abraham F. Jalbout

doi:10.1016/j.cplett.2008.04.030

A 'Scorpion' like SWNT/carbon sheet molecular trap

Aned de Leon
, Abraham F. Jalbout^*

^*Autor correspondiente de este trabajo

Producción científica: Contribución a una revista › Artículo › revisión exhaustiva

12 Citas (Scopus)

Resumen

In this work we have devised a 'Scorpion' like system composed of a zigzag (8,0) single walled carbon nanotube (SWNT) bound to a 20 ring carbon sheet by a two molecule glycine chain. DFT-BLYP/DND calculations were performed to analyze the ability of such a system to trap simple polar molecules in the cavities of the SWNT species as well as on the surface of the carbon sheet.

Idioma original	Inglés
Páginas (desde-hasta)	179-184
Número de páginas	6
Publicación	Chemical Physics Letters
Volumen	457
N.º	1-3
DOI	https://doi.org/10.1016/j.cplett.2008.04.030
Estado	Publicada - 20 may. 2008
Publicado de forma externa	Sí

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abstract = "In this work we have devised a 'Scorpion' like system composed of a zigzag (8,0) single walled carbon nanotube (SWNT) bound to a 20 ring carbon sheet by a two molecule glycine chain. DFT-BLYP/DND calculations were performed to analyze the ability of such a system to trap simple polar molecules in the cavities of the SWNT species as well as on the surface of the carbon sheet.",

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AU - Jalbout, Abraham F.

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AB - In this work we have devised a 'Scorpion' like system composed of a zigzag (8,0) single walled carbon nanotube (SWNT) bound to a 20 ring carbon sheet by a two molecule glycine chain. DFT-BLYP/DND calculations were performed to analyze the ability of such a system to trap simple polar molecules in the cavities of the SWNT species as well as on the surface of the carbon sheet.

UR - https://www.scopus.com/pages/publications/43549121651

U2 - 10.1016/j.cplett.2008.04.030

DO - 10.1016/j.cplett.2008.04.030

M3 - Artículo

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VL - 457

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JO - Chemical Physics Letters

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A 'Scorpion' like SWNT/carbon sheet molecular trap

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