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1.
Sci Rep ; 13(1): 21281, 2023 Dec 02.
Artigo em Inglês | MEDLINE | ID: mdl-38042962

RESUMO

Motivated by the development of molecular spintronics, we studied the phonon-assisted spin transport along a DNA chain in the presence of environmental-induced dephasing using multifractal analysis. The results demonstrate that a nearly pure spin current is generated in the presence of the voltage gate. The pure spin current is enhanced by increasing thermal effects. The vibration modes due to the thermal phonon bath assist in generating the spin current, so the spin state is more delocalized in strong electron-phonon coupling. The phonon chirality can translate to the electron spin to create a nontrivial spin texture, including spin currents. The spin states become more extended by increasing the phonon temperature. On the other hand, the spin states are less localized in longer chains as the spin selectivity is higher in longer chains than in short ones. Therefore, we can engineer a molecular spintronic device by controlling phonon effects on the storage and transport of binary digits.

2.
J Phys Chem B ; 126(8): 1709-1718, 2022 03 03.
Artigo em Inglês | MEDLINE | ID: mdl-35188377

RESUMO

Molecular systems are good candidates for designing the novel generation of nanoelectronic and nanospintronic devices due to their flexible structures. We have theoretically investigated stain-induced spin transport through a DNA chain to control a piezospintronic component. In the current modeling, we have applied a small strain to a tilted DNA chain connected between two leads and immersed it in a heat bath. The results show that a compressing strain can enhance the spin-dependent current up to 300 nA. Via modulating the control parameters, one can control the spin transport characteristic of a DNA-based material for designing an information storage and transport device.


Assuntos
DNA , DNA/química
3.
J Phys Chem B ; 124(16): 3261-3270, 2020 04 23.
Artigo em Inglês | MEDLINE | ID: mdl-32227954

RESUMO

Designing a molecular switch with bistable on/off states is of particular interest in molecular electronics. Motivated by experimental studies of molecular conductors, interplays of photons and electrons and their effects on electrical properties are studied theoretically. We have tried to model a molecular optical switch based on DNA sequences of the hepatitis delta virus and Toxocara canis parasite. The electrical response of chains to the light irradiation was examined to optimize the function of an optical switch. The switch turns on when the amplitude of incident irradiation and its frequency approach to 0.3 at the unit of (ℏc)/(er0) and 2 THz, respectively. We can modulate the switching of the system via the simultaneous variation of effective factors and obtain different islands in the parameter settings. The appearance of different islands in the parameter surface relates to the on/off states of electrical current, which can be verified and estimated through the multifractal analysis.


Assuntos
Elétrons , Fótons , Sequência de Bases
4.
J Phys Chem B ; 122(9): 2487-2494, 2018 03 08.
Artigo em Inglês | MEDLINE | ID: mdl-29470078

RESUMO

Molecule-based transistors have attracted much attention due to their exclusive properties. Creation of a molecular transistor as well as engineering its structure have become one of the greatest aims of scientists. We have focused on the environmental dependent behavior of a DNA-templated transistor. Using the statistical distribution of the energy levels, we were able to distinguish the delocalized states of charge carriers and the transition between the localized and delocalized behaviors. On the other hand, we can determine the stability conditions of our quantum dynamical system. The results are verified by the inverse participation ratio method. Therefore, the most appropriate parameters for designing the DNA transistor are chosen. The DNA sequence is an important factor for its transport properties, but the results have shown that in the presence of the bath, the bath parameters are important, too. As is shown, it is possible that via the adjustment of bath parameters, one can design a conductivity channel for all nucleotide contents. Thus, one can engineer a DNA based transistor simply through the setting of only one parameter.


Assuntos
DNA/química , Metais/química , Teoria Quântica , Transistores Eletrônicos , Sequência de Bases , Eletrodos
5.
Artigo em Inglês | MEDLINE | ID: mdl-25768543

RESUMO

An analytical approach is proposed for the investigation of the conductivity properties of DNA. The charge mobility of DNA is studied based on an extended Peyrard-Bishop-Holstein model when the charge carrier is also subjected to an external electrical field. We have obtained the values of some of the system parameters, such as the electron-lattice coupling constant, by using the mean Lyapunov exponent method. On the other hand, the electrical current operator is calculated directly from the lattice operators. Also, we have studied Landauer resistance behavior with respect to the external field, which could serve as the interface between chaos theory tools and electronic concepts. We have examined the effect of two types of electrical fields (dc and ac) and variation of the field frequency on the current flowing through DNA. A study of the current-voltage (I-V) characteristic diagram reveals regions with a (quasi-)Ohmic property and other regions with negative differential resistance (NDR). NDR is a phenomenon that has been observed experimentally in DNA at room temperature. We have tried to study the affected agents in charge transfer phenomena in DNA to better design nanostructures.


Assuntos
DNA/química , Condutividade Elétrica , Modelos Químicos , Modelos Genéticos , Nanofios/química , Fenômenos Eletromagnéticos , Elétrons , Dinâmica não Linear , Termodinâmica
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