Simulation Research On Junction Formation Of Carbon Nanotubes By Heat Welding And C60Bombardment

Carbon nanotubes and their junctions are the basic unit of the two-dimensional andthree-dimensional carbon nanotubes network. Carbon nanotubes junction have shown alot of novel properties different from those of carbon nanotubes, such as unique dynamic,thermal, optical, electrical properties, and it has significant potential application value inthe field of the microelectronics, transparent conducting layer and thin film batteries. Inthis study, the process and mechanism of formation of the single-walled carbonnanotubes (SWCNTs) produced under heat treatment adopting molecular dynamics (MD)method are simulated and analyzed. The possibility of producing carbon nanotubejunctions by C60bombardment on the SWCNTs are probed as well. The research andmain results are summarized as below:(1) The formation of the parallel carbon nanotube junction and the fusion of parallelSWCNTs are simulated with three different constrain models. The result shows that theformation of the parallel carbon nanotube junction and the fusion of parallel SWCNTscan be achieved merely by high-temperature heating.(2) The heat welding of non-orthogonal single-walled carbon nanotubes junction isstudied by molecular dynamics simulation. It is found that the welding of the central areaof the non-orthogonal ultrathin carbon nanotubes X-junctions becomes more apparent asthe crossed angles decreases under high-temperature condition. And relatively highheating temperature will result in greater welding area. While during the heat treatmentformation of the orthogonal X-junction, the welding phenomenon is not that obvious.(3) The structural stability of non-orthogonal X-junctions is studied under hightemperature heating condition. The result shows that non-orthogonal X-junctions aremore easily to transform into parallel carbon nanotube junction. And the transformationcan be attributed to the imbalance inner torque resulted from the heating process of thenon-orthogonal X-junctions.(4) The possibility of producing junctions by C60bombardment on the carbonnanotubes is also studied. The result shows that the junctions can be produced undercertain dose of C60bombardment. And the junction structure has something to do withthe dose and bombardment direction.