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arXiv · 1910.05684

Graphene Quantum Dot as a Probe for DNA Nucleobase Detection: A First Principle Study

Manoj Kumar·Neetika Thakur·Munish Sharma
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Abstract

In this study, structural stability, electronic, optical and vibrational properties of DNA nucleobase adsorbed Graphene Quantum Dot (GQD) has been investigated using density functional theory. Based on state-of-art electronic structure calculations, we predict order of GQD sensitivity for DNA nucleobase as Thymine > Cytosine > Guanine > Adenine. An interaction of GQD with DNA nucleobase leads to modulation in electronic energy gap. Our calculated UV/vis and IR vibrational spectra show unique spectral band that can be used fingerprints in next generation DNA sequencing diagnostics.

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Manoj Kumar, Neetika Thakur, Munish Sharma. 2019-10-13. Graphene Quantum Dot as a Probe for DNA Nucleobase Detection: A First Principle Study. https://doi.org/10.1063/5.0017174

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