Electric Near-field Modulations of Charged Deoxyribonucleic Acid Nucleobases
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Electric Near-field Modulations of Charged Deoxyribonucleic Acid Nucleobases Junais Habeeb Mokkath1 Received: 31 January 2020 / Accepted: 22 March 2020 © Springer Science+Business Media, LLC, part of Springer Nature 2020
Abstract Deoxyribonucleic acid (DNA) has been recently recognized as a promising material for nanophotonics due to its outstanding electro-optical tuning. Here using the realistic state-of-the-art quantum mechanical calculations, we carried out a systematic theoretical study on the electric near-field modulations of charged DNA nucleobases. Our results underline that electrical doping (the addition or removal of an electron) produces dramatic modulations to the electric near-field enhancements in the visible spectral range. Interestingly, electrical doping causes high-intensity electric near-field hotspot regions to emerge in the technologically relevant visible spectral range. Our results unveil electric near-field manipulation of DNA nucleobases, which might find applications in novel nanophotonic devices. Keywords Nucleobases · TDDFT · Electric near-field modulations
Introduction DNA is a long and flexible information-coding polymer having the most predictable conformation and programmable interactions. Its discovery revolutionized biology since it stores and transmits genetic code of all living species [1–4]. It is a well-established fact that the individual DNA nucleobases are connected via hydrogen bonds in the Watson-Crick model. The base pairs interact with each other in the typical helical arrangement by inter-plane van der Waals forces. DNA exhibits outstanding features such as high stability in solution [5], the regular π -stacking [6], self-assembly [7], and recognition [8]. Apart from its potential applications in biology, recently, DNA has emerged as an exceptional molecular building block for nanotechnology owing to its outstanding mechanical, electrical and optical features [9–12]. The ability to create designer DNA
Junais Habeeb Mokkath
[email protected] 1
Quantum Nanophotonics Simulations Lab, Department of Physics, Kuwait College of Science And Technology, P.O. Box 27235, 7th Ring Road, Doha Area, Kuwait
nanoarchitectures with accurate spatial control has allowed researchers to explore novel applications in many directions. In particular, its flexibility and highly organized pairing enable structural DNA nanotechnology via origami [13–16] and kirigami [17, 18] methods. In addition, its chemical reactivity helps active modification of its structure [19, 20], promising as plasmonic walkers [21–23]. Concerning electrical properties, the DNA double helix structure has emerged as a nanoscale wiring material having a good holedriven conductivity [24]. In information technologies, DNA finds applications in the field of data storage [25–27] and problem solving [28–31]. As far as its optical features are concerned, neutral DNA presents its dipole active electronic transitions at UV frequencies [32, 33], thus no features in the visible spectral region below 4 eV [33]. Recently, i
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