Rational design of [e]-fusion induced high-performance DHP/CPD based photoswitches
| Autor: | Quan Gao, Bin Cui, Xi Zuo, Dongmei Li, Desheng Liu, Heming Li, Changfeng Fang, Li Han |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Fusion
Materials science Photoswitch Molecular junction business.industry Rational design General Physics and Astronomy Light irradiation 02 engineering and technology Conjugated system 010402 general chemistry 021001 nanoscience & nanotechnology medicine.disease_cause 01 natural sciences 0104 chemical sciences Electrical resistance and conductance medicine Optoelectronics Physical and Theoretical Chemistry 0210 nano-technology business Ultraviolet |
| Zdroj: | Physical Chemistry Chemical Physics. 22:26255-26264 |
| ISSN: | 1463-9084 1463-9076 |
| DOI: | 10.1039/d0cp03827j |
| Popis: | We report an effective strategy for improving the electronic transport and switching behaviors of dimethyldihydropyrene/cyclophanediene (DHP/CPD)-based molecular devices, an intriguing photoswitch that can be triggered by ultraviolet/visible (UV-vis) light irradiation. Aiming to obtain molecular devices with high on-off ratios, we assess a series of molecular designs formed by [e]-fusing different arenes on a conjugated macrocycle to modulate the photochemical and electronic properties. Here, the switching mechanism and transport properties of [e]-fused DHP/CPD-based nanojunctions are theoretically investigated by first-principles calculations. As a result, the large diversity in electrical conductance between the closed and open forms certifies the substantial switching behavior observed in these sandwich structures. The maximum on-off ratios in all designed photoswitches are greater than 102. Further analysis confirms the improvement of switching performance caused by [e]-fusion. Notably, in the benzo-fused molecular junctions, the maximum on-off ratio is up to 103, which is 55 times larger than that of the un-fused one. We also find that the position of the switch core can remarkably affect the performance of photoswichable nanodevices. |
| Databáze: | OpenAIRE |
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