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First-principle investigations for electronic transport in nitrogen-doped disconnected zigzag graphene nanoribbons

机译:氮掺杂的不连续之字形石墨烯纳米带中电子传输的第一性原理研究

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Development of novel electronic devices is an area of active research which reveals the potential of organic nano-materials towards efficient nano-devices application. In this letter, we have investigated the electronic transport properties of nitrogen (N) doped disconnected zigzag graphene nanoribbons (ZGNR). Six different configurations viz. N1, N2, N3, N4, N5 and N6 were studied to reveal the effect of N-impurity on tunnelling dependent electron transport. It is predicted that the magnitude of current through these disconnected ZGNR devices is a function of tunnelling width, however, the qualitative behavior is quite similar. Further, a negative differential resistance (NDR) was observed for pristine nanoribbons which revokes upon N doping except for N3 configuration. The magnitude of tunnelling current is governed by the position of N impurities and can be further enhanced via selective doping of N atoms in the disconnected edges of ZGNR. Moreover, while operating in low bias regime (below 0.5 V), all the considered structures exhibit linear I-V characteristics. Present findings may find applications in upcoming organic devices working on tunnelling phenomena.
机译:新型电子设备的开发是一个积极的研究领域,它揭示了有机纳米材料在高效纳米设备应用方面的潜力。在这封信中,我们研究了氮(N)掺杂的不连续之字形石墨烯纳米带(ZGNR)的电子传输性能。六种不同的配置,即。研究了N1,N2,N3,N4,N5和N6,以揭示N杂质对隧穿相关电子传输的影响。据预测,通过这些断开的ZGNR器件的电流大小是隧穿宽度的函数,但是,定性行为却非常相似。此外,对于纯净的纳米带观察到负的差分电阻(NDR),其除N 3构型外在N掺杂时均会消失。隧道电流的大小由N杂质的位置决定,可以通过在ZGNR的断开边缘中选择性掺杂N原子来进一步增强。此外,在低偏置状态(低于0.5 V)下工作时,所有考虑的结构均表现出线性的I-V特性。目前的发现可能会在即将开展的研究隧道现象的有机设备中找到应用。

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