Enhanced DNA Sequencing Performance Through Edge-Hydrogenation of Graphene Electrodes

Authors

  • Yuhui He,

    1. Laboratory of Nano-Fabrication and Novel Devices Integrated Technology, Institute of Microelectronics, Chinese Academy of Sciences, Beijing 100029, China
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  • Ralph H. Scheicher,

    Corresponding author
    1. Condensed Matter Theory Group, Department of Physics and Astronomy, Box 516, Uppsala University, SE-751 20 Uppsala, Sweden
    • Condensed Matter Theory Group, Department of Physics and Astronomy, Box 516, Uppsala University, SE-751 20 Uppsala, Sweden
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  • Anton Grigoriev,

    1. Condensed Matter Theory Group, Department of Physics and Astronomy, Box 516, Uppsala University, SE-751 20 Uppsala, Sweden
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  • Rajeev Ahuja,

    1. Condensed Matter Theory Group, Department of Physics and Astronomy, Box 516, Uppsala University, SE-751 20 Uppsala, Sweden, Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology (KTH), SE-100 44 Stockholm, Sweden
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  • Shibing Long,

    1. Laboratory of Nano-Fabrication and Novel Devices Integrated, Technology, Institute of Microelectronics, Chinese Academy of Sciences, Beijing 100029, China
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  • ZongLiang Huo,

    1. Laboratory of Nano-Fabrication and Novel Devices Integrated, Technology, Institute of Microelectronics, Chinese Academy of Sciences, Beijing 100029, China
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  • Ming Liu

    Corresponding author
    1. Laboratory of Nano-Fabrication and Novel Devices Integrated Technology, Institute of Microelectronics, Chinese Academy of Sciences, Beijing 100029, China
    • Laboratory of Nano-Fabrication and Novel Devices Integrated Technology, Institute of Microelectronics, Chinese Academy of Sciences, Beijing 100029, China.
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Abstract

The use of graphene electrodes with hydrogenated edges for solid-state nanopore-based DNA sequencing is proposed, and molecular dynamics simulations in conjunction with electronic transport calculations are performed to explore the potential merits of this idea. The results of the investigation show that, compared to the unhydrogenated system, edge-hydrogenated graphene electrodes facilitate the temporary formation of H-bonds with suitable atomic sites in the translocating DNA molecule. As a consequence, the average conductivity is drastically raised by about 3 orders of magnitude while exhibiting significantly reduced statistical variance. Furthermore, the effect of the distance between opposing electrodes is investigated and two regimes identified: for narrow electrode separation, the mere hindrance due to the presence of protruding hydrogen atoms in the nanopore is deemed more important, while for wider electrode separation, the formation of H-bonds becomes the dominant effect. Based on these findings, it is concluded that hydrogenation of graphene electrode edges represents a promising approach to reduce the translocation speed of DNA through the nanopore and substantially improve the accuracy of the measurement process for whole-genome sequencing.

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