A 'Scorpion' like SWNT/carbon sheet molecular trap

Aned de Leon, Abraham F. Jalbout*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

12 Scopus citations


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.

Original languageEnglish
Pages (from-to)179-184
Number of pages6
JournalChemical Physics Letters
Issue number1-3
StatePublished - 20 May 2008
Externally publishedYes


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