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运用第一性原理的密度泛函理论结合非平衡格林函数研究了含有五边形—七边形拓扑缺陷的纳米碳管异质结的输运性质.结果发现拓扑缺陷对碳管的输运性质有很大影响;另外,不同类型的碳管形成的异质结的输运性质也有明显的差异.
The transport properties of carbon nanotube heterojunction with pentagonal-heptagonal topological defects were investigated by using first-principles density functional theory and non-equilibrium Green’s function. The transport properties of carbon nanotubes by topological defects In addition, the transport properties of heterojunctions formed by different types of carbon tubes also have significant differences.