Literature DB >> 35093735

The transport properties of poly(G)-poly(C) DNA oligomers in the Harrison's model.

Hamze Mousavi1, Mohammad Bamdad2.   

Abstract

Using the tight-binding Hamiltonian of the Harrison's model and the Landauer-Büttiker formalism, some of the electron transport properties of short poly(G)-poly(C) DNA segments lying between two semi-infinite carbon chains as the nanoleads are investigated. The analytical results of the self-energies due to the leads are represented by solving the discretized form of the one-dimensional Schrödinger's equation. Under the Harrison's model, with considering in-phase overlap between the nearest neighbors' all kinds of atomic orbitals, the influences of more atomic orbitals in central channel and backbone of DNA (according to Fishbone model) on the electron transmission probability are discussed. Transmission probabilities for both the single- and many-orbital states are calculated and compared with each other. Furthermore, the effect of increasing length of the DNA nanowire and the coupling strength of nanolead/DNA interface on transmission probability and the current-voltage (I-V) curves and also the effect of different temperatures of the leads on the I-V characteristics are studied. Our results show that the poly(G)-poly(C) DNA oligomer exhibits a semiconducting behavior and that the vertical coupling strength between base pairs and the sugar-phosphate backbone in poly(G)-poly(C) DNA structure can induce the semiconducting gap.
Copyright © 2022 Elsevier Inc. All rights reserved.

Entities:  

Keywords:  DNA; Electron transport; Fishbone model; Harrison's model; Tight-binding

Mesh:

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Year:  2022        PMID: 35093735     DOI: 10.1016/j.jmgm.2022.108138

Source DB:  PubMed          Journal:  J Mol Graph Model        ISSN: 1093-3263            Impact factor:   2.518


  1 in total

1.  Electronic Transport Properties in GaAs/AlGaAs and InSe/InP Finite Superlattices under the Effect of a Non-Resonant Intense Laser Field and Considering Geometric Modifications.

Authors:  John A Gil-Corrales; Alvaro L Morales; Melike Behiye Yücel; Esin Kasapoglu; Carlos A Duque
Journal:  Int J Mol Sci       Date:  2022-05-05       Impact factor: 6.208

  1 in total

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