Electronic transport decay rule for junction of oligophenylene molecules sandwiched between phosphorene nanoribbons
Electronic transport decay rule for junction of oligophenylene molecules sandwiched between phosphorene nanoribbons
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夹在磷烯纳米带之间的低聚亚苯基分子连接的电子传输衰减规则
DOI：
10.1088/1361-6463/ab5b5a
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发表时间：
2019-12
期刊：
影响因子：
--
通讯作者：
Zhou Guanghui
中科院分区：
文献类型：
--
作者：
Jia Chunxia;Liu Guang;Ding Wence;Zhou Benliang;Zhou Xiaoying;Zhou Guanghui
我们研究了电极对两个锯齿形磷烯纳米带（ZPNRs）之间由寡聚苯撑连接和寡并苯连接的分子结的指数传输规律的影响，其中分子由一个、两个和三个苯……（句子不完整）
We study the influence of electrodes on the exponential transport rule for the junction of oligophenylene-linked and oligoacene-linked molecules between two zigzag phosphorene nanoribbons (ZPNRs), where molecules consisting of one, two and three benzene rings are considered, respectively. We find by ab initio calculations that the amplitude of current through the junction is dependent on both the molecular length and the molecule–ZPNR coupling manner. In specification, the current through the single-bond coupled junction with the molecular plane perpendicular to the ZPNRs is almost two times that with parallel configuration due to the greater number of transport channels provided by the p y orbital in the former case. In contrast, the current of the junction with double-bond coupling is nearly two orders of magnitude larger because of the stronger coupling strength. Nevertheless, in any case the ZPNR–electrode junction, like metal–electrode junctions, also obeys the exponential decaying rule in transport with the variation of molecular length. Importantly, the relationship between the resistance and the molecular length, regardless of the coupling details, can be fitted by a linear line in the semilog coordinate but with different slopes determined by the coupling manner. This indicates that the exponential rule of transport under small bias voltages is electrode-material-independent for molecular junctions with any electrode. But the value of the decaying factor, importantly, is heavily dependent not only on the molecule itself but also on the electrode materials as well as the molecule–electrode coupling method.
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