鱼骨式纳米碳纤维的微观结构研究

Study on microstructures of fishbone-type carbon nanofibers

分别采用叠杯模型和螺旋锥模型构造鱼骨式纳米碳纤维,考察了两种模型对鱼骨式纳米碳纤维稳定性的影响,研究了鱼骨式纳米碳纤维的内径、外径等几何特征对其结构稳定性的影响,并将XRD模拟谱图与XRD实验谱图进行对比。计算结果表明,叠杯模型和螺旋锥模型构造的鱼骨式纳米碳纤维对其结构的稳定性影响较小;随内径的增加,鱼骨式纳米碳纤维结构趋于稳定,而当内径增加到某个临界值时,鱼骨式纳米碳纤维的结构出现坍塌,相同内径的鱼骨式纳米碳纤维随其外径的增加,结构稳定性增强;XRD模拟谱图与XRD实验谱图的出峰位置及峰强度基本吻合,且小内径模型的结晶化程度较高,能够更好地描述实验中鱼骨式纳米碳纤维的微观结构。

Fishbone-type carbon nanofibers（f-CNFs） were constructed by means of the stacked-cup and cone-helix models separately. The effects of structural parameters including outer diameter and inner diameters of f-CNFs on the structural stability of f-CNFs were investigated. The XRD simulation was compared with experimental results. The two connecting modes of the stacked-cup and cone-helix models had little effect on the structural stability of f-CNFs. The stability of f-CNFs could be enhanced by increasing the inner diameter to some extent. However, further increase in the inner diameter might cause the collapse of the f-CNFs structure. The structural stability of f-CNFs with same inner diameter was enhanced with increasing the outer diameter. The position and intensity of the XRD simulation peak were in consistent with the experimental results. In particular, the crystallinity of f-CNFs with small inner diameter was high, which could describe microstructure off-CNFs well.