Mechanical Properties and Electronic Transport in Carbon Nanotubes

摘要: The field of carbon nanotubes is undergoing an explosive growth due to both the intrinsic interest in these molecular structures and their technological promise in, e.g., high strength, light weight materials, superstrong fibers, novel nanometer scale electronic mechanical devices, catalysts, energy storage. Despite potential impact that could have many areas science industry, characterization electrical properties still incomplete. We show under strain conditions can undergo a variety atomic transformations, often occurring via successive bond rotations. barrier for rotation dramatically lowered by strain. While very rates must lead breakage, (n,m) with display plastic flow suitable conditions. This occurs through formation 5–7–7–5 defect, which then splits into two 5–7 pairs. index tube changes between pairs, potentially leading metal-semiconductor junctions. also computed quantum conductances strained tubes, defects, nanotube junctions, since deformations are likely occur when used form nanoscale devices. results defect density contacts play key roles reducing conductance at Fermi energy, while bending affect differently achiral chiral nanotubes. Our good agreement recent experimental data.