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Implementation of biomolecular logic gate using DNA and electrically doped GaAs nano-pore: a first principle paradigm

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Abstract

One of the emerging areas of today’s research arena is molecular modeling and molecular computing. The molecular logic gate can be theoretically implemented from single-strand DNA which consists of four basic nucleobases. In this study, the electronic transmission characteristics of DNA chain are investigated to form the logic gate. This biomolecular single-strand DNA chain is passed through an electrically doped gallium-arsenide nano-pore to achieve reasonably improved transmission along <1 1 1> direction. Current-voltage characteristic and device density of states with HOMO-LUMO plot of the device are explained along with the conductivity of the device to confirm the characteristics of some important logic gates like a universal gate. Ultimately the property of resistivity proves the law of Boolean logic of AND gate and universal logic gate, viz., NAND and NOR gate. All the electronic properties of the Boolean logic gate are explored based on the first principle approach by non-equilibrium Green’s function coupled with density functional theory in room temperature.

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Funding

The authors are grateful to the University Grants Commission, India, for the project under UGC Major Project File No.: 41–631/2012 (SR).

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Authors and Affiliations

  1. Department of Electronics & Communication Engineering, B. P. Poddar Institute of Management & Technology, 137, V. I. P Road, Kolkata, West Bengal, 700052, India

    Debarati Dey

  2. Department of Computer Science & Engineering, Maulana Abul Kalam Azad University of Technology, NH-12(Old NH-34), Haringhata, Post Office – Simhat, P.S. – Haringhata, Nadia, West Bengal, 741249, India

    Debarati Dey, Pradipta Roy & Debashis De

  3. Department of Computer Science & Technology, Swami Vivekananda Institute of Science & Technology, Dakhshin Gobindapur, P.S. Sonarpur, Kolkata, West Bengal, 700145, India

    Pradipta Roy

  4. Department of Physics, University of Western Australia, M013, 35 Stirling Highway, Crawley, WA, 6009, Australia

    Debashis De

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  1. Debarati Dey
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All the authors have equally contributed to prepare the manuscript.

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Correspondence to Debarati Dey.

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Dey, D., Roy, P. & De, D. Implementation of biomolecular logic gate using DNA and electrically doped GaAs nano-pore: a first principle paradigm. J Mol Model 27, 23 (2021). https://doi.org/10.1007/s00894-020-04623-x

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