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Molecules 2018, 23(4), 881; https://doi.org/10.3390/molecules23040881

Current’s Fluctuations through Molecular Wires Composed of Thiophene Rings

1
Grupo de Física de Materiales, Facultad de Ciencias, Universidad Pedagógica y Tecnológica de Colombia, Tunja, Boyacá 050030, Colombia
2
Laboratorio de Química Teórica y Computacional, Grupo de Investigación Química-Física Molecular y Modelamiento Computacional (QUIMOL), Facultad de Ciencias, Universidad Pedagógica y Tecnológica de Colombia, Tunja, Boyacá 050030, Colombia
3
Grupo de Materia Condensada-UdeA, Instituto de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín 050030, Colombia
*
Author to whom correspondence should be addressed.
Received: 9 February 2018 / Revised: 3 April 2018 / Accepted: 5 April 2018 / Published: 11 April 2018
(This article belongs to the Section Physical Chemistry)
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Abstract

We study theoretically the electronic transport and quantum fluctuations in single-molecule systems using thiophene rings as integrated elementary functions, as well as the dependence of these properties with the increase of the coupled rings, i.e., as a quantum wire. In order to analyze the current flow through these molecular systems, the thiophene rings are considered to be connected to metal contacts, which, in general terms, will be related to the application of voltages (bias voltages or gate voltages) to generate non-equilibrium behavior between the contacts. Due to the nonlinear behavior that is generated when said voltages are applied, it is possible to observe quantum fluctuations in the transport properties of these molecular wires. For the calculation of the transport properties, we applied a tight-binding approach using the Landauer–Büttiker formalism and the Fischer–Lee relationship, by means of a semi-analytic Green’s function method within a real-space renormalization (decimation procedure). Our results showed an excellent agreement with results using a tight-binding model with a minimal number of parameters reported so far for these molecular systems. View Full-Text
Keywords: shot noise; Green’s functions; decimation process shot noise; Green’s functions; decimation process
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).
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Ojeda Silva, J.H.; Cortés Peñaranda, J.C.; Gómez Castaño, J.A.; Duque, C.A. Current’s Fluctuations through Molecular Wires Composed of Thiophene Rings. Molecules 2018, 23, 881.

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