Abstract Highly conducting molecular wires are extremely desirable in molecular-scale circuitry, but restricted by their role as tunnel barriers due to their steep conductance recession with the length. This work innovatively reveals that in equilibrium, the conductance of the newly designed porphyrin-graphene nanoribbons (GNRs) molecular wires would increase with the length, presenting appealing “even” conducting superiority, different with pure-GNRs molecular wires. Such anomalous transport behavior is not related with edge states of GNRs but the contribution of the porphyrin part in the transport. More interestingly, this “even” conducting advantage would be more prominent with slightly larger voltage, originated from narrower HOMO-LUMO gap of “even” assembled molecular wires. Besides, one of these hybrid molecular wires shows exceedingly strong transmission. This work suggests valuable applications of these new-assembled molecular wires in nano-electronics.

中文翻译：

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卟啉和石墨烯纳米带设计的分子线的“均匀”导电优势

摘要 高导电分子线在分子级电路中是非常理想的，但由于它们的电导随长度急剧下降，因此受到它们作为隧道势垒的作用的限制。这项工作创新地揭示了在平衡状态下，新设计的卟啉-石墨烯纳米带（GNRs）分子线的电导率会随着长度的增加而增加，呈现出与纯GNRs分子线不同的吸引人的“均匀”导电优势。这种异常的运输行为与 GNR 的边缘状态无关，而是与卟啉部分在运输中的贡献有关。更有趣的是，这种“偶数”导电优势在电压稍大的情况下会更加突出，这源于“偶数”组装分子线的更窄的 HOMO-LUMO 间隙。除了，这些混合分子线之一显示出非常强的传输。这项工作表明这些新组装的分子线在纳米电子学中的有价值的应用。