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Molecular sensing using armchair graphene nanoribbon
Author(s) -
Rezapour Mohammad Reza,
Rajan Arunkumar Chitteth,
Kim Kwang S.
Publication year - 2014
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.23705
Subject(s) - graphene , nanotechnology , materials science , chemical physics , physics
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.