Abstract

On the basis of the constructed atomistic models of graphene/nanotube films with different numbers of nanotubes in supercells, in silico studies of the regularities of non-uniform density distribution, which determine the presence of an island structure in such films, are carried out. As a result of quantum molecular and dynamic simulation, it is established that thin tubes of sub-nanometer diameter are wrapped in graphene sheets, which makes them energetically steady and stable. Tunnel contacts between individual film fragments that are not covalently bonded are also studied, in particular, between graphene sheets with different topology of the contacting edges, zigzag and armchair, depending on the distance between them, and between tubes of various chiralities including (6,3), (4,4), (6,5), (12,6), and (16,0). It is found that the tunnel contacts of tubes with a semiconductor type of conductivity are characterized by the presence of voltage intervals with negative differential resistance in I–V characteristics. Such voltage intervals are not observed at all in tubes with a metallic character of conductivity. The new knowledge obtained is important for estimating the electrical conductivity of such films, two thirds of which are semiconductor tubes.

中文翻译：

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石墨烯/纳米管薄膜结构元件之间的隧道电流

摘要

基于构建的具有不同数量纳米管的石墨烯/纳米管薄膜在超级胞中的原子模型，进行了非均匀密度分布规律的计算机研究，这些规律决定了这种薄膜中是否存在岛状结构。作为量子分子和动力学模拟的结果，确定了亚纳米直径的细管包裹在石墨烯片中，这使得它们在能量上稳定和稳定。还研究了未共价键合的单个薄膜片段之间的隧道接触，特别是在具有不同接触边缘拓扑结构的石墨烯片之间、之字形和扶手椅之间，取决于它们之间的距离，以及各种手性的管之间，包括（6， 3)、(4,4)、(6,5)、(12,6) 和 (16,0)。I - V特性。在具有金属导电特性的管中根本没有观察到这样的电压间隔。获得的新知识对于估计此类薄膜的电导率很重要，其中三分之二是半导体管。