Metal induced molecular nano-extraction

Aned De Leon; Abraham F. Jalbout

doi:10.1007/s00214-008-0470-3

Metal induced molecular nano-extraction

Aned De Leon, Abraham F. Jalbout

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

We have previously devised a "scorpion" like system which is composed of a zigzag (8,0) single walled carbon nanotube attached to a 20 ringed graphene sheet by a glycine dimer species. Theoretical density functional theory calculations on a potential mechanism driven by a metal induced charge transfer process has been proposed for the extraction of molecules from nanotubes.

Original language	English
Pages (from-to)	247-255
Number of pages	9
Journal	Theoretical Chemistry Accounts
Volume	121
Issue number	5-6
DOIs	https://doi.org/10.1007/s00214-008-0470-3
State	Published - Dec 2008
Externally published	Yes

Keywords

Carbon sheet
DFT-BLYP
Metals
Polar molecules
SWNT

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10.1007/s00214-008-0470-3

Cite this

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AB - We have previously devised a "scorpion" like system which is composed of a zigzag (8,0) single walled carbon nanotube attached to a 20 ringed graphene sheet by a glycine dimer species. Theoretical density functional theory calculations on a potential mechanism driven by a metal induced charge transfer process has been proposed for the extraction of molecules from nanotubes.

KW - Carbon sheet

KW - DFT-BLYP

KW - Metals

KW - Polar molecules

KW - SWNT

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M3 - Artículo

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JO - Theoretical Chemistry Accounts

JF - Theoretical Chemistry Accounts

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ER -

Metal induced molecular nano-extraction

Abstract

Keywords

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