单分子结中偏置电压控制的电极-分子界面。
A bias voltage controlled electrode-molecule interface in single-molecule junctions.
作者信息
Yang Jiawei, Li Yunpeng, Zhang Zekai, Li Hongxiang
机构信息
Key Laboratory for Advanced Materials, Feringa Nobel Prize Scientist Joint Research Center, Frontiers Science Center for Materiobiology and Dynamic Chemistry, Institute of Fine Chemicals, School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai, 200237, P. R. China.
出版信息
Chem Commun (Camb). 2024 Jun 4;60(46):5980-5983. doi: 10.1039/d4cc01143k.
Tuning the electrode-molecule interface stands at the heart of functional single-molecule devices. Herein, we report that the electrode-molecule interface of difluoro-substituted benzothiadiazole (FBTZ)-based single-molecule junctions can be modulated by the bias voltage. At low bias voltage (100 mV), the dative Au-N linkage is formed and at high bias voltage (600 mV), a covalent Au-C linkage is constructed. These junctions show distinct conductance. Interestingly, dominant charge carriers in Au-N- and Au-C-based junctions are different, as evidenced by dft calculations. These results provide a new strategy for regulating the electrode-molecule interface, which will advance the development of molecular electronics.
调节电极-分子界面是功能性单分子器件的核心所在。在此，我们报道基于二氟取代苯并噻二唑（FBTZ）的单分子结的电极-分子界面可通过偏置电压进行调制。在低偏置电压（100 mV）下，形成了配位的金-氮键，而在高偏置电压（600 mV）下，则构建了共价的金-碳键。这些结表现出截然不同的电导。有趣的是，密度泛函理论（DFT）计算表明，基于金-氮键和金-碳键的结中的主要电荷载流子不同。这些结果为调节电极-分子界面提供了一种新策略，这将推动分子电子学的发展。
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