Contemplating charge transport by modeling of DNA nucleobases based nano structures

Contemplating charge transport by modeling of DNA nucleobases based nano structures

Electrical charge transport through two basic strands Thymine and Adenine of DNA has been analyzed using jellium model approach. The FFT-2D computations have been performed for semi empirical Extended Huckel Theory using Atomistix Tool kit to contemplate the charge transport metrics like current and...

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Bibliographic Details
Published in:Current applied physics Vol. 20; no. 5; pp. 653 - 659
Main Authors: Vohra, Rajan, Sawhney, Ravinder Singh, Singh, Kunwar Partap
Format: Journal Article
Language:English
Published: Elsevier B.V 01-05-2020
한국물리학회
Subjects:
Adenine
DNA
Extended Huckel theory
Thymine
Transmission spectra
물리학
Adenine
Transmission spectra
Extended Huckel theory
DNA
Thymine
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Summary:Electrical charge transport through two basic strands Thymine and Adenine of DNA has been analyzed using jellium model approach. The FFT-2D computations have been performed for semi empirical Extended Huckel Theory using Atomistix Tool kit to contemplate the charge transport metrics like current and conductance. We have scrutinized the behavior of the devices in the range of -2 V–2 V for a step size of 0.2 V. A prominent observation is the drop in HLGs of Adenine and Thymine, when working as device as compared to their intrinsic values and this is comparative more visible in case of Adenine. The current in the thymine based device exhibit linear increase with voltage in spite of having low conductance. Further the broader transmission peaks represent the strong coupling of electrodes to the scattering molecule (Thymine). The NDR effect of Adenine based device for higher bias can be utilized in various future electronics applications. •Electron transport phenomena through A and T nucleobase of DNA devices has been examined.•After comparing some of the vital electrical characteristics Au-Thymine-Au device is showing comparatively higher current.•Small dip in current from 1.8 to 2 bias voltage range can be seen in the adenine based device, which clearly gives NDR region.•The main idea to pursue this work is to build molecular applications like switches, diode and memories.
ISSN:1567-1739
1878-1675
DOI:10.1016/j.cap.2020.02.016