Interaction of Boron-Nitrogen Substitued Graphene Nanoribbon with Nucleobases: The Idea of Biosensor


In this paper we have designed a biosensor device built from B-N substituted graphene nanoribbon within density functional based tight-binding (DFTB) framework. We have investigated the interaction of the nucleobases adenine (A), Guanine (G), Cytosine (C) and Thymine (T) with device. Our calculation suggests that all the nucleobases have different interaction strength when they interact with device and shows that guanine has stronger interaction with device than other nucleobases. It reveals that the absorption energy shows the hierarchy: G > C > T > A. Our results also demonstrate the transport properties of the device and how the transport properties change due to the absorption of nucleobases on the device.

Share and Cite:

B. Bhattacharya, N. Singh and U. Sarkar, "Interaction of Boron-Nitrogen Substitued Graphene Nanoribbon with Nucleobases: The Idea of Biosensor," Soft Nanoscience Letters, Vol. 3 No. 4A, 2013, pp. 43-45. doi: 10.4236/snl.2013.34A012.

Conflicts of Interest

The authors declare no conflicts of interest.


[1] S. Gowtham, R. H. Scheicher, R. Ahuja, R. Pandey and S. P. Karna, “Physisorption of Nucleobases on Graphene,” Physical Review B, Vol. 76, No. 3, 2007, Article ID: 033401.
[2] S. Mukhopadhyay, S. Gowtham, R. H. Scheicher, R. Pandey and S. P. Karna, “Theoretical Study of Physisorption of Nucleobases on Boron Nitride Nanotubes: A New Class of Hybrid Nano-Biomaterials,” Nanotechnology, Vol. 21, No. 16, 2010, Article ID: 165703.
[3] X. Zhong, W. J. Slough, R. Pandey and C. Friedrich, “Interaction of Nucleobases with Silicon Nanowires: A First Principle Study,” Chemical Physics Letters, Vol. 553, 2012, pp. 55-58.
[4] J. Dai, J. Yuan and P. Giannozzi, “Gas Adsorption on Graphene Doped with B, N, Al and S: A Theoretical Study,” Applied Physics Letters, Vol. 95, No. 23, 2009, Article ID: 232105.
[5] O. F. Ping, P. S. Lin, Z. Hua, W. L. Bo and X. Hui, “A Biosensor Based on Graphene Nanoribbon with Nanopores: A First Principles Devices-Design,” Chinese Physics, Vol. 20, No. 5, 2011, Article ID: 058504.
[6] B. Song, G. Cuniberti, S. Sanvito and H. Fang, “Nucleobase Adsorbed at Graphene Devices: Enhanced Bio-Sensorics,” Applied Physics Letters, Vol. 100, No. 6, 2012, Article ID: 063101.
[7] Y. T. Zhang, Q. M. Li, Y. C. Li, Y. Y. Zhang and F. Zhai, “Band Structures and Transport Properties of Zigzag Graphene Nanoribbons with Antidot Arrays,” Journal of Physics: Condensed Matter, Vol. 22, No. 31, 2010, Article ID: 315304.
[8] Z. Wang, J. Xiao and X. Li, “Effects of Heteroatom (Boron or Nitrogen) Substitutional Doping on the Electronic Properties of Graphene Nanoribbons,” Solid State Communications, Vol. 152, No. 2, 2012, pp. 64-67.
[9] X. H. Zhengh, I. Rungger, Z. Zeng and S. Sanvito, “Effects Induced by Single and Multiple Dopents on the Transport Properties in Zigzag-Edged Graphene Nanoribbons,” Physical Review B, Vol. 80, No. 23, 2009, Article ID: 235426.
[10] B. Aradi, B. Hourahine and Th. Frauenheim, “DFTB+, a Sparse Matrix-Based Implementation of the DFTB Method,” The Journal of Physical Chemistry A, Vol. 111, No. 26, 2007, pp. 5678-5684.
[11] M. Elstner, D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, T. Frauenheim, S. Suhai and G. Seifert, “Self-Consistent-Charge Density-Functional Tight-Binding Method for Simulations of Complex Materials Properties,” Physical Review B, Vol. 58, No. 11, 1998, pp. 7260-7268.

Copyright © 2022 by authors and Scientific Research Publishing Inc.

Creative Commons License

This work and the related PDF file are licensed under a Creative Commons Attribution 4.0 International License.