作者: M. J. López , A. Rubio , J. A. Alonso , L.-C. Qin , S. Iijima
DOI: 10.1103/PHYSREVLETT.86.3056
关键词:
摘要: We have synthesized novel crystalline ropes of “polygonized” single-wall carbon nanotubes (SWCNTs). The tubes exhibit rounded-hexagonal cross sections in contrast to the earlier observations nearly circular tubes. To investigate structural characteristics lattice SWCNTs we performed extensive molecular-dynamics simulations. find several metastable structures characterized by different tube sections, hexagonal, rounded-hexagonal, and circular, increasing cell volume. competition between shapes as a function diameter is analyzed compared experiments.