Molecular sensing using armchair graphene nanoribbon

In molecular electronics, the conductance strongly depends on the frontier energy levels and spatial orientations of molecules. Utilizing these features, we investigate the electron transport characteristics of conjugated molecules attached on an armchair graphene nanoribbon. The resulting sharp red...

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Bibliographic Details
Published in:Journal of computational chemistry 2014-10, Vol.35 (26), p.1916-1920
Main Authors: Rezapour, Mohammad Reza, Rajan, Arunkumar Chitteth, Kim, Kwang S.
Format: Article
Language:English
Subjects:
Carbon
Chemistry
electron transport
Fano resonance
molecular electronics
Molecules
single molecule sensing
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Summary:In molecular electronics, the conductance strongly depends on the frontier energy levels and spatial orientations of molecules. Utilizing these features, we investigate the electron transport characteristics of conjugated molecules attached on an armchair graphene nanoribbon. The resulting sharp reduction in the transmission which represents molecular fingerprints and the change of the transmission depending on the molecular orientation, are examined in accordance with a unified picture of the Fano–Anderson model. These characteristics, being unique for each molecule, would be applicable to molecular recognition and configurational analysis. © 2014 Wiley Periodicals, Inc. An electron transport system composed of an armchair graphene nanoribbon with a molecule or molecules attached onto its surface can be considered as a Fano–Anderson structure. Reductions appearing in the transmission profile of the system due to Fano resonance are unique for each molecule. These dips, representing molecular fingerprints, would be a promising tool in molecular recognition and configurational analysis.
ISSN:0192-8651
1096-987X
DOI:10.1002/jcc.23705