National Laboratory of Infrared Physics, Shanghai Institute for Technical Physics, Chinese Academy of Sciences, Yu Tian Road 500, Shanghai 200083, Peoples Republic of China.
Phys Rev Lett. 2012 Jun 15;108(24):245505. doi: 10.1103/PhysRevLett.108.245505.
The energetics of topological defects (TDs) in carbon nanotubes (CNTs) and their kinetic healing during the catalytic growth are explored theoretically. Our study indicates that, with the assistance of a metal catalyst, TDs formed during the addition of C atoms can be efficiently healed at the CNT-catalyst interface. Theoretically, a TD-free CNT wall with 10(8)-10(11) carbon atoms is achievable, and, as a consequence, the growth of perfect CNTs up to 0.1-100 cm long is possible since the linear density of a CNT is ∼100 carbon atoms per nanometer. In addition, the calculation shows that, among catalysts most often used, Fe has the highest efficiency for defect healing.
理论上探索了碳纳米管（CNTs）中拓扑缺陷（TDs）的能量学及其在催化生长过程中的动力学修复。我们的研究表明，在金属催化剂的辅助下，在添加 C 原子过程中形成的 TDs 可以在 CNT-催化剂界面处有效修复。从理论上讲，可以实现具有 10(8)-10(11)个碳原子的无 TD 碳纳米管壁，因此，由于碳纳米管的线密度约为每纳米 100 个碳原子，因此可以实现长达 0.1-100 厘米的完美碳纳米管的生长。此外，计算表明，在所使用的最常见的催化剂中，Fe 对缺陷修复具有最高的效率。
