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.
Li
Ye-Fei
YF
State Key Laboratory of Applied Organic Chemistry (SKLAOC), College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, People's Republic of China.
Li
Bing-Rui
BR
Zhang
Hao-Li
HL