Kawai Takazumi, Miyamoto Yoshiyuki, Sugino Osamu, Koga Yoshinori
FCT Central Research Department, Japan Fine Ceramics Center, 1-1-1 Higashi, Tsukuba, 305-8565, Japan.
Phys Rev Lett. 2002 Aug 19;89(8):085901. doi: 10.1103/PhysRevLett.89.085901. Epub 2002 Aug 2.
We investigated the coalescence of ultrathin carbon nanotubes (UTCNTs) using the tight-binding molecular dynamics simulation technique. We have found that two UTCNTs having the same or different chirality can coalesce without initially introducing atomic defects to enhance the reaction. The chiral index of the coalesced nanotube was found to be given as a vector sum of the indices of the original nanotubes, which can be explained geometrically in terms of the developments of the nanotubes. The results clearly show that the chirality can be changed through chemical reaction, which might suggest a possibility of chirality control.
我们使用紧束缚分子动力学模拟技术研究了超薄碳纳米管（UTCNTs）的合并情况。我们发现，具有相同或不同手性的两个UTCNTs可以合并，而无需预先引入原子缺陷来促进反应。合并后的纳米管的手性指数被发现等于原始纳米管指数的矢量和，这可以从纳米管的展开角度进行几何解释。结果清楚地表明，手性可以通过化学反应改变，这可能暗示了手性控制的可能性。
