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Junctions between a boron nitride nanotube and a boron nitride sheet

机译:氮化硼纳米管和氮化硼片之间的结

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For future nanoelectromechanical signalling devices, it is vital to understand how to connect various nanostructures. Since boron nitride nanostructures are believed to be good electronic materials, in this paper we elucidate the classification of defect geometries for combining boron nitride structures. Specifically, we determine possible joining structures between a boron nitride nanotube and a flat sheet of hexagonal boron nitride. Firstly, we determine the appropriate defect configurations on which the tube can be connected, given that the energetically favourable rings for boron nitride structures are rings with an even number of sides. A new formula E = 6 + 2J relating the number of edges E and the number of joining positions J is established for each defect, and the number of possible distinct defects is related to the so- called necklace and bracelet problems of combinatorial theory. Two least squares approaches, which involve variation in bond length and variation in bond angle, are employed to determine the perpendicular connection of both zigzag and armchair boron nitride nanotubes with a boron nitride sheet. Here, three boron nitride tubes, which are (3, 3), (6, 0) and (9, 0) tubes, are joined with the sheet, and Euler's theorem is used to verify geometrically that the connected structures are sound, and their relationship with the bonded potential energy function approach is discussed. For zigzag tubes (n, 0), it is proved that such connections investigated here are possible only for n divisible by 3.
机译:对于未来的纳米机电信号装置,了解如何连接各种纳米结构至关重要。由于氮化硼纳米结构被认为是良好的电子材料,因此在本文中,我们将阐明结合氮化硼结构的缺陷几何形状的分类。具体而言,我们确定氮化硼纳米管和六边形氮化硼平板之间的可能连接结构。首先,考虑到氮化硼结构在能量上有利的环是具有偶数边的环,我们确定了可以在其上连接管的适当缺陷配置。针对每个缺陷,建立了一个新的公式E = 6 + 2J,该公式将边的数量E和接合位置J的数量相关,并且可能存在的明显缺陷的数量与组合理论中所谓的项链和手镯问题有关。两种最小二乘方法(涉及键长的变化和键角的变化)被用来确定锯齿形和扶手椅状氮化硼纳米管与氮化硼片的垂直连接。在此,将三个(3、3),(6、0)和(9、0)氮化硼管与薄板连接在一起,并使用欧拉定理从几何上验证所连接的结构是否健全,以及讨论了它们与键合势能函数方法的关系。对于曲折管(n,0),证明了这里研究的这种连接仅对于被3整除的n是可能的。

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