Effect of Chirality on the Electronic Transport Properties of the Thioxanthene-Based Molecular Switch
| Autor: | Ai-Yun Yang, Cai-Juan Xia, Chun-Lan Wang, Bo-Qun Zhang, Mao Yang |
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| Rok vydání: | 2016 |
| Předmět: |
Materials science
General Physics and Astronomy Non-equilibrium thermodynamics Nanotechnology Carbon nanotube 010402 general chemistry medicine.disease_cause 01 natural sciences law.invention chemistry.chemical_compound law 0103 physical sciences medicine Molecule 010306 general physics Computer Science::Databases Molecular switch fungi Thioxanthene food and beverages 0104 chemical sciences chemistry Chemical physics Density functional theory Chirality (chemistry) Ultraviolet |
| Zdroj: | Chinese Physics Letters. 33:047101 |
| ISSN: | 1741-3540 0256-307X |
| DOI: | 10.1088/0256-307x/33/4/047101 |
| Popis: | Based on the nonequilibrium Green function method and density functional theory calculations, we theoretically investigate the effect of chirality on the electronic transport properties of thioxanthene-based molecular switch. The molecule comprises the switch which can exhibit different chiralities, that is, cis-form and trans-form by ultraviolet or visible irradiation. The results clearly reveal that the switching behaviors can be realized when the molecule converts between cis-form and trans-form. Furthermore, the on-off ratio can be modulated by the chirality of the carbon nanotube electrodes. The maximum on-off ratio can reach 109 at 0.4 V for the armchair junction, suggesting potential applications of this type of junctions in future design of functional molecular devices. |
| Databáze: | OpenAIRE |
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