20 February 2018 Perspectives of graphene-nucleotide complexes for the development of new bioelectronics devices
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The purpose of this work is to study the physical phenomena that arise during contact of DNA nucleotides with a graphene substrate, and the numerical evaluation of the electrically conductive properties of graphene-nucleotide complexes. As a graphene substrate we considered graphene nanoribbons of armchair and zigzag type. We investigated changes in the atomic structure of the graphene-nucleotide complexes. Such characteristics of the complexes as charge redistribution, electron transmission functions, electrical conductivity and current-voltage characteristic were calculated using Nonequilibrium Green’s function (NGF) matrices method. In order to calculate the electrical conductivity we constructed a model, where semi-infinite graphene sheets with the zigzag and armchair edges acted as electrodes, respectively. The search for the equilibrium configuration of graphenenucleotide complexe was carried out by the method of relaxation scanning of the multi-well potential of the nucleotide interaction energy with a carbon object. Analysis of the calculated resistances and current-voltage characteristic showed that the most suitable for biosensorics are graphene nanoribbons of the zigzag type.
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O. E. Glukhova, O. E. Glukhova, D. S. Shmygin, D. S. Shmygin, } "Perspectives of graphene-nucleotide complexes for the development of new bioelectronics devices ", Proc. SPIE 10508, Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications X, 105080P (20 February 2018); doi: 10.1117/12.2291427; https://doi.org/10.1117/12.2291427


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