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The electrical conductivity of CNT/graphene composites: a new method for accelerating transmission function calculations

机译:CNT /石墨烯复合材料的电导率:一种加速传递函数计算的新方法

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摘要

We present a new universal method to accelerate calculations of transmission function and electrical conductance of 2D materials, the supercell of which may contain hundreds or thousands of atoms. The verification of the proposed method is carried out by exemplarily calculating the electrical characteristics of graphene and graphane films. For the first time, we calculated the transmission function and electrical conductance of pillared graphene, composite film of carbon nanotubes (CNTs)/graphene. The electrical conductance of different models of this material was calculated in two mutually perpendicular directions. Regularities in resistance values were found.
机译:我们提出了一种新的通用方法来加速2D材料的传递函数和电导率的计算,该材料的超级单元可能包含数百或数千个原子。通过示例性地计算石墨烯和石墨烷薄膜的电特性来进行所提出方法的验证。我们首次计算了带柱状石墨烯,碳纳米管/石墨烯复合膜的传输函数和电导率。在两个相互垂直的方向上计算了该材料的不同模型的电导率。发现电阻值的规律性。

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