本文研究了单壁(3,3)碳纳米管束在高压下的结构演变过程。在静水压40 GPa下,(3,3)碳纳米管束会直接聚合形成一种新型六方三维碳纳米管聚合体(命名为六方3D-(3,3)碳)。卸除压力后,它能保持其结构不变,成为一种新型半导体性的超硬碳。该研究为压缩碳纳米管合成新型碳提供了理论依据。
The phase transition of single-walled (3, 3) carbon nanotube bundle under pressure is studied. At a hydrostatic pressure of 40 GPa, (3, 3) carbon nanotube bundles are directly polymerized to form a new hexagonal tree-dimensional carbon nanotube polymer (called hexagonal 3D- (3, 3) carbon). Unloading the pressure, the hexagonal 3D- (3, 3) carbon is quenchable at ambient pressure, showing semiconducting and superhard properties. The current study gives a theoretical support for compressing carbon nanotubes to obtain new carbon allotropes.