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Deciphering the electric field changes in the channel of an open quantum system to detect DNA nucleobases
, Article Journal of Computational Electronics ; Volume 16, Issue 2 , 2017 , Pages 411-418 ; 15698025 (ISSN) ; Berahman, M ; Yazdanpanah Goharrizi, A ; Sharif University of Technology
Abstract
DNA nucleobases strongly absorbed onto a graphene sheet placed between two gold electrodes in a contact–channel–contact configuration were distinguished. We analyzed the system using the nonequilibrium Green’s function method combined with density functional theory. The changes of the electric field in the middle of the vacuum gap (channel) were investigated. The Mulliken population was deciphered for graphene and the nucleobases. We also extracted the image plane, which was found to lie very close to the position of peak induced density. The projection of the electron difference density and electrostatic difference potential of the nucleobases are also presented. The nucleobases were...