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首页> 外文期刊>Organic Electronics >Intrinsic current-voltage characteristics of metal-carbon nanotube networks: A first-principles study
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Intrinsic current-voltage characteristics of metal-carbon nanotube networks: A first-principles study

机译：金属-碳纳米管网络的本征电流-电压特性：第一性原理研究

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The interconnections involving metal atoms in single-walled carbon nanotube (SWNT) networks are crucial for building nanoscaled devices. The influence of the metal-(η~6-SWNT) interconnects in the electrical conductivity of SWNT film have been reported in recent experiments [X. Tian et al. Nano lett. 2014,14,3930]. Using non-equilibrium Green's function with density function theory, we performed theoretical calculations on the electron transport properties of (Cr, Li, Au)-SWNT systems. We revealed the roles of transition metal Cr, alkalis metal Li and inert metal Au in improving the electrical conductance of metal-SWNT systems. Our calculated results show that transport properties along the inter-tube direction are strongly dependent on the connecting metal atoms varying over many orders of magnitudes. Gold atoms fail to enhance the electrical conductance of SWNT systems. Meanwhile, negative differential resistances are demonstrated in semiconducting inter-tube models, which would have potential applications in the electronic device. Our results provide a promising way to optimize the performance of SWNT based networks.
机译：单壁碳纳米管（SWNT）网络中涉及金属原子的互连对于构建纳米级设备至关重要。最近的实验报道了金属-（η〜6-SWNT）互连对SWNT薄膜电导率的影响[X.田等。纳米lett。 2014,14,3930]。利用非平衡格林函数和密度泛函理论，我们对（Cr，Li，Au）-SWNT系统的电子输运性质进行了理论计算。我们揭示了过渡金属Cr，碱金属Li和惰性金属Au在改善金属SWNT系统电导中的作用。我们的计算结果表明，沿管间方向的传输特性在很大程度上取决于连接金属原子的数量级变化。金原子不能增强SWNT系统的电导率。同时，在半导体管间模型中显示了负差分电阻，这将在电子设备中具有潜在的应用。我们的结果为优化基于SWNT的网络的性能提供了一种有希望的方法。

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