The computational design of junctions between carbon nanotubes and graphene nanoribbons.
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.
State Key Laboratory of Applied Organic Chemistry (SKLAOC), College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, People's Republic of China.
Ye-Fei
YF
Li
Bing-Rui
BR
Li
Hao-Li
HL
Zhang