文献类型：期刊文献

英文题名：A bias voltage controlled electrode-molecule interface in single-molecule junctions

作者：Yang, Jiawei[1];Li, Yunpeng[1];Zhang, Zekai[1];Li, Hongxiang[1]

机构：[1]East China Univ Sci & Technol, Sch Chem & Mol Engn, Key Lab Adv Mat, Frontiers Sci Ctr Materiobiol & Dynam Chem,Feringa, Shanghai 200237, Peoples R China

年份：2024

卷号：60

期号：46

起止页码：5980

外文期刊名：CHEMICAL COMMUNICATIONS

收录：;EI(收录号：20242116135935);WOS:【SCI-EXPANDED(收录号:WOS:001227576500001)】；

基金：This work was supported by the National Natural Science Foundation of China (grants 21875279, 52273176, and 22075080), Shanghai Municipal Science and Technology Major Project (grant 2018SHZDZX03), Fundamental Research Funds for the Central Universities, and East China University of Science and Technology.

语种：英文

外文关键词：Electrodes - Gold compounds - Molecules - Nitrogen compounds

摘要：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. The electrode-molecule interface of single-molecule junction is modulated by bias voltage.