Electronic and thermoelectric properties of a single pyrene molecule
| Autor: | Lafy F. Al-Badry, Mohammed N. Mutier |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Materials science
Contact geometry Fermi level General Physics and Astronomy Molecular electronics 01 natural sciences Molecular physics 010305 fluids & plasmas symbols.namesake chemistry.chemical_compound chemistry 0103 physical sciences Thermoelectric effect symbols Molecule Figure of merit Pyrene Electric current 010306 general physics |
| Zdroj: | Chinese Journal of Physics. 63:365-374 |
| ISSN: | 0577-9073 |
| Popis: | We propose a system containing a single pyrene molecule sandwiched between two metallic electrodes. The transport properties of the single pyrene molecule with four configurations are investigated using a steady-state theoretical model. We calculate the transmission probability and the electric current for the structure (1, 8), the structure (1, 7), the structure (1, 5) and the structure (1, 4). By applying a gate voltage on the pyrene molecule, we calculate the thermoelectric properties. The thermoelectric and electron transport properties can be controlled by quantum interference, the contact geometry and the gate voltage. The asymmetric behavior and the splitting of resonances in the transmission spectrum occur due to applying a gate voltage on the pyrene molecule. As a result, the structures (1, 5) and (1, 7) have a maximum value of the figure of merit reaching to 0.8 at the Fermi level. According to the results, the structures (1, 5) and (1, 7) can be act as promising thermoelectric applications in molecular electronics. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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