大口径单壁纳米碳管碰撞生长机制的研究

Study on Growth Mechanism of a Large Single-walled Carbon Nanotube by the Collision of a Ultrathin Nanotube with Graphtic Patches

利用紧束缚分子动力学模拟方法,模拟了单壁碳纳米管与两个石墨烯片之间的碰撞过程,发现一定长度和宽度的两片石墨烯片与开口单壁纳米碳管的碰撞在一定的能量下会形成更大口径的两端口封闭的单壁纳米碳管.这可能也是一种大口径碳纳米管的生长机制.

We have investigated the collision of a single - walled carbon nanotube with two graphite surfaces by tight- binding molecular dynamics simulations （TBMD）. We found that a closed single -walled carbon nanotube with larger diameter can be formed during the collision. This may be a kind of carbon nanotube growth mechanism.