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| Format: | Artículo científico |
| Language: | en |
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Sociedade Brasileira de Física
2015
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| Online Access: | https://www.redalyc.org/articulo.oa?id=46439703002 |
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Table of Contents:
- Electronic Transport through Thiophene-1,4-Dithiol Molecule Sérgio Selma dos Santos Edwin Hobbi Jr. Nestor Santos Correia Física, Astronomía y Matemáticas Thiophene Transmittance Electronic transport In this paper, we study electronic transport through thiophene-1,4-dithiol molecules attached to gold electrodes Au (111) and subjected to bias voltage. The choice of this molecule is justified by its promising applications in the construction of molecular devices. The electronic structure of thiophene-1,4-dithiol was investigated by using Density Functional Theory (DFT) combined with non-equilibrium Green’s functions (NEGF), as implemented in TRANSIESTA program. We found that both an increased separation between the electrodes and the presence of anchor group S, cause an increase in transmittance through the molecule. Also, we obtain a structure in the transmittance curve, a Fano resonance feature, present in electronic transport phenomena in nanostructured devices. The results are reported in terms of transmittance versus energy around Fermi Level and voltage versus current plots. 2015 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46439703002 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.4 Vol.45