| Journal: | Brazilian journal of physics |
| Database: | PERIÓDICA |
| System number: | 000388327 |
| ISSN: | 0103-9733 |
| Authors: | Santos, Sergio Selma dos1 Hobbi-Junior, Edwin1 Correia, Nestor Santos1 |
| Institutions: | 1Universidade Estadual de Santa Cruz, Campus Soane Nazare de Andrade, Ilheus, Bahia. Brasil |
| Year: | 2015 |
| Season: | Ago |
| Volumen: | 45 |
| Number: | 4 |
| Pages: | 383-386 |
| Country: | Brasil |
| Language: | Inglés |
| Document type: | Artículo |
| Approach: | Experimental, analítico |
| English abstract | 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 |
| Disciplines: | Física y astronomía |
| Keyword: | Física atómica y molecular, Tiofeno, Transmitancia, Transporte electrónico |
| Keyword: | Physics and astronomy, Atomic and molecular physics, Transmittance, Thiophene, Electronic transport |
| Full text: | Texto completo (Ver HTML) |
