In aromatic systems with large π-conjugated structures, armchair and zigzag configurations can affect each material’s electronic properties, determining their performance and generating certain quantum effects. Here, we explore the intrinsic effect of armchair and zigzag pathways on charge transport through single hexabenzocoronene molecules. Theoretical calculations and systematic experimental results from static carbon-based single-molecule junctions and dynamic scanning tunneling microscope break junctions show that charge carriers are preferentially transported along the hexabenzocoronene armchair pathway, and thus, the corresponding current through this pathway is approximately one order of magnitude higher than that through the zigzag pathway. In addition, the molecule with the zigzag pathway has a smaller energy gap. In combination with its lower off-state conductance, it shows a better field-effect performance because of its higher on-off ratio in electrical measurements. This study on charge transport pathways offers a useful perspective for understanding the electronic properties of π-conjugated systems and realizing high-performance molecular nanocircuits toward practical applications.

中文翻译：

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通过单一多环芳烃实现独特的扶手椅式和锯齿形电荷传输

在具有大 π 共轭结构的芳香族系统中，扶手椅和锯齿形配置可以影响每种材料的电子特性，决定其性能并产生某些量子效应。在这里，我们探讨了扶手椅和锯齿形路径对单个六苯并苯分子电荷传输的内在影响。静态碳基单分子结和动态扫描隧道显微镜断裂结的理论计算和系统实验结果表明，载流子优先沿着六苯并苯扶手椅路径传输，因此，通过该路径的相应电流大约是一个数量级高于锯齿形路径。此外，具有Z字形路径的分子具有更小的能隙。结合其较低的断态电导，它在电气测量中具有较高的通断比，因此表现出更好的场效应性能。这项关于电荷传输路径的研究为理解π共轭系统的电子特性和实现高性能分子纳米电路的实际应用提供了有用的视角。