Structural, Mechanical, and Electromechanical Properties of Zigzag-Shaped Carbon Nanotube Pairs

Owing to structural anisotropy, arrangement of two zigzag-shaped carbon nanotubes (Z-CNTs) exhibits distinct configurations compared to their single-walled CNT counterparts. Using the first-principles calculations, a side-by-side and antiparallel Z-CNT pair is predicted. Compared with its single Z-CNT counterpart, mechanical strengths of the Z-CNT pairs are enhanced due to the interaction between the Z-CNTs, including Young's modulus and intrinsic strength. In addition, the Z-CNT pairs demonstrate prominent electromechanical effects where the bandgap can be engineered by tensile strain, further resulting in a semiconductor-to-metal or metal-to-semiconductor transition. The transition between semiconductor and metal allows the Z-CNT pairs to serve as promising electromechanical switches in nanoelectronics.