Li Ye-Fei, Li Bing-Rui, Zhang Hao-Li
State Key Laboratory of Applied Organic Chemistry (SKLAOC), College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, People's Republic of China.
Nanotechnology. 2009 Jun 3;20(22):225202. doi: 10.1088/0957-4484/20/22/225202. Epub 2009 May 12.
Using first-principles density functional theory calculations, various junction models constructed from different carbon nanotube and graphene nanoribbon units via covalent linkage have been envisioned. These models consist of linear, T- and H-shaped junctions within the connection modes between carbon nanotube and graphene nanoribbon units. The electronic transport properties of different junctions have been systematically investigated by using the non-equilibrium Green's function. The simulation results suggested that the proposed models are promising for future applications in novel nanoelectronics.
通过第一性原理密度泛函理论计算，设想了由不同的碳纳米管和石墨烯纳米带单元通过共价键连接构建的各种结模型。这些模型在碳纳米管和石墨烯纳米带单元之间的连接模式中包括线性、T形和H形结。利用非平衡格林函数系统地研究了不同结的电子输运性质。模拟结果表明，所提出的模型在新型纳米电子学的未来应用中具有潜力。
