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Configuration-sensitive molecular sensing on doped graphene sheets

Russell, John and Kral, Petr (2010) Configuration-sensitive molecular sensing on doped graphene sheets. Nano Research, 3 (7). pp. 472-480.

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Abstract

We show by molecular dynamics simulations that configuration-sensitive molecular spectroscopy can be realized on optimally doped graphene sheets vibrated by an oscillatory electric field. High selectivity of the spectroscopy is achieved by maximizing Coulombic binding between the detected molecule and a specific nest, formed for this molecule on the graphene sheet by substituting selected carbon atoms with boron and nitrogen dopants. One can detect binding of different isomers to the nest from the frequency shifts of selected vibrational modes of the combined system. As an illustrative example, we simulate detection of hexanitrostilbene enantiomers in chiral nests formed on graphene.

Item Type:Article
Subjects:Physical Science > Nanophysics
Physical Science > Nano objects
Material Science > Nanochemistry
Material Science > Nanostructured materials
Divisions:Faculty of Engineering, Science and Mathematics > School of Physics
Faculty of Engineering, Science and Mathematics > School of Chemistry
ID Code:9428
Deposited By:JNCASR
Deposited On:27 Sep 2010 06:29
Last Modified:27 Sep 2010 06:29

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