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We study the transport of charge due to polarons in a model of DNA which takes in account its 3D structure and the coupling of the electron wave function with the H--bond distortions and the twist motions of the base pairs. Perturbations of…

斑图形成与孤子 · 物理学 2018-08-16 J. F. R. Archilla , D. Hennig , J. Agarwal

We investigate the charge transport in synthetic DNA polymers built up from single types of base pairs. In the context of a polaron-like model, for which an electronic tight-binding system and bond vibrations of the double helix are…

斑图形成与孤子 · 物理学 2007-05-23 D. Hennig , E. B. Starikov , J. F. R. Archilla , F. Palmero

Some recent results for a three--dimensional, semi--classical, tight--binding model for DNA show that there are two types of polarons, named radial and twist polarons, that can transport charge along the DNA molecule. However, the existence…

斑图形成与孤子 · 物理学 2007-05-23 F. Palmero , J. F. R. Archilla , D. Hennig , F. R. Romero

In many organic molecules the strong coupling of excess charges to vibrational modes leads to the formation of polarons, i.e., a localized state of a charge carrier and a molecular deformation. Incoherent hopping of polarons along the…

介观与纳米尺度物理 · 物理学 2015-05-13 Benjamin B. Schmidt , Matthias H. Hettler , Gerd Schön

The rapid progress in the field of molecular electronics has led to an increasing interest on DNA oligomers as possible components of electronic circuits at the nanoscale. For this, however, an understanding of charge transfer and transport…

软凝聚态物质 · 物理学 2007-05-23 R. Gutierrez , G. Cuniberti

We present a very simple model for the study of charge transport in a molecule patterned on B-DNA. In this model we use a discrete non-linear Schr\"{o}dinger equation to describe electrons propagating along the sugar-phosphate backbone of…

软凝聚态物质 · 物理学 2009-11-10 Niels R. Walet , Wojtek J. Zakrzewski

Recent works on localized charge transport along DNA, based on a three--dimensional, tight--binding model (Eur. Phys. J. B 30:211, 2002; Phys. D 180:256, 2003), suggest that charge transport is mediated by the coupling of the radial and…

斑图形成与孤子 · 物理学 2007-05-23 F. Palmero , J. F. R. Archilla , D. Hennig , F. R. Romero

Quantum transport for DNA conduction has widely studied with interest in application as a candidate in making nanowires as well as interest in the scientific mechanism. In this paper, we review recent works with concerning the electronic…

无序系统与神经网络 · 物理学 2015-03-13 Hiroaki Yamada , Kazumoto Iguchi

Various charge migration mechanisms in the DNA are studied within the framework of the Peyrard-Bishop-Holstein model which has been widely used to address charge dynamics in this macromolecule. To analyze these mechanisms we consider…

生物物理 · 物理学 2022-09-14 R. P. A. Lima , A. V. Malyshev

We present a theoretical analysis of the environment effects on charge transport in double-stranded synthetic poly(G)-poly(C) DNA molecules attached to two ideal leads. Coupling of the DNA to the environment results in two effects: (i)…

软凝聚态物质 · 物理学 2009-07-13 A. V. Malyshev , E. Diaz , F. Dominguez-Adame , V. A. Malyshev

We study the electronic transport through short DNA chains with various sequences of base pairs between voltage-biased leads. The strong coupling of the charge carriers to local vibrations of the base pairs leads to the formation of…

介观与纳米尺度物理 · 物理学 2009-11-13 Benjamin B. Schmidt , Matthias H. Hettler , Gerd Schön

Charge transport through a short DNA oligomer (Dickerson dodecamer) in presence of structural fluctuations is investigated using a hybrid computational methodology based on a combination of quantum mechanical electronic structure…

软凝聚态物质 · 物理学 2015-05-14 R. Gutierrez , R. Caetano , P. B. Woiczikowski , T. Kubar , M. Elstner , G. Cuniberti

We study the electronic properties of DNA by way of a tight-binding model applied to four particular DNA sequences. The charge transfer properties are presented in terms of localisation lengths, crudely speaking the length over which…

基因组学 · 定量生物学 2007-05-23 Daphne Klotsa , Rudolf A. Roemer , Matthew S. Turner

We here present a variable-range hopping model to describe the chirality-induced spin selectivity along the DNA double helix. In this model, DNA is considered as a one-dimensional disordered system, where electrons are transported by chiral…

介观与纳米尺度物理 · 物理学 2024-05-01 Ryotaro Sano , Takeo Kato

Two models for energy and charge transport and storage in biomolecules are considered. A model based on the discrete nonlinear Schrodinger equation with long-range dispersive interactions (LRI's) between base pairs of DNA is offered for the…

In the present study we revise the possible polaron contribution to the charge and energy transfer over long distances in biomolecules like DNA. The harmonic and the simple inharmonic ($U(x) = x^2/2 - \beta x^3/3$) lattices are considered.…

介观与纳米尺度物理 · 物理学 2013-01-10 T. Yu. Astakhova , V. N. Likhachev , G. A. Vinogradov

We present a short review of various experiments that measure charge transfer and charge transport in DNA. Some general comments are made on the possible connection between 'chemistry-style' charge transfer experiments that probe…

无序系统与神经网络 · 物理学 2009-11-10 N. P. Armitage , M. Briman , G. Gruner

Here we study the polaronic transport through molecules weakly connected to metallic electrodes in the nonlinear response regime. Molecule itself is treated as a quantum dot with discrete energy levels, its connection to the electrodes is…

介观与纳米尺度物理 · 物理学 2007-07-22 Kamil Walczak

Measurements of electron transfer rates as well as of charge transport characteristics in DNA produced a number of seemingly contradictory results, ranging from insulating behaviour to the suggestion that DNA is an efficient medium for…

软凝聚态物质 · 物理学 2007-05-23 R. Bulla , R. Gutierrez , G. Cuniberti

We present a hybrid method based on a combination of quantum/classical molecular dynamics (MD) simulations and a mod el Hamiltonian approach to describe charge transport through bio-molecular wires with variable lengths in presence o f a…

软凝聚态物质 · 物理学 2015-05-13 R. Gutierrez , R. Caetano , P. B. Woiczikowski , T. Kubar , M. Elstner , G. Cuniberti
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