电导
质子化
分子开关
分子
分子线
二亚胺
化学物理
密度泛函理论
分子电子学
电荷(物理)
材料科学
共轭体系
计算化学
化学
纳米技术
物理
聚合物
有机化学
离子
凝聚态物理
量子力学
催化作用
复合材料
作者
Jialing Li,Bo-Ji Peng,Shi Li,Daniel P. Tabor,Lei Fang,Charles M. Schroeder
出处
期刊:Chem
[Elsevier]
日期:2023-08-01
卷期号:9 (8): 2282-2297
被引量:1
标识
DOI:10.1016/j.chempr.2023.05.001
摘要
Ladder-type molecular structures greatly enhance the chemical stability of oligoaniline derivatives and impart well-defined physical properties to multiple molecular charge states. In this work, we characterize the charge transport properties of a ladder-type cyclohexadiene-1,4-diimine derivative at various protonation, lithiation, and oxidation states using single-molecule techniques. Our results show that a ladder-type oligoaniline derivative serves as a robust and reversible molecular switch with over two orders of magnitude changes in molecular conductance when controlled using chemical or electrochemical stimuli. Experimental results are complemented by molecular modeling using density functional theory (DFT) and nonequilibrium Green’s function-DFT (NEGF-DFT) to elucidate charge transport mechanisms at different molecular states. Overall, this work provides new strategies for advancing the stability, programmability, and efficiency of molecular charge transport using ladder-type single-molecule switches.
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