ON THE ENERGETICS OF TUBULAR FULLERENES
ON THE ENERGETICS OF TUBULAR FULLERENES
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DOI：
10.1016/0022-3697(93)90237-l
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发表时间：
1993-05-01
影响因子：
4
通讯作者：
SMALLEY, RE
中科院分区：
文献类型：
--
作者：
LUCAS, AA;LAMBIN, PH;SMALLEY, RE
将长单层碳微管的结合能与由展开微管产生的平面石墨烯条的结合能进行比较。结果表明，当其半径小于临界值时，小管的能量稳定性低于条带。当在弯曲条带时存储的弹性能量超过从沿着小管发生器缝合其悬挂键所回收的能量时，达到极限半径。这个标准给出了一个3埃的临界半径。Tibbetts提出的多层中空石墨丝的生长模型也进行了讨论。该模型表明，小于约15埃外半径的细丝应优选地生长为单层小管，而大于约20埃的细丝可容纳增加数量的圆柱形层。
The binding energy of a long monolayer carbon tubule is compared to that of the planar graphene strip resulting from unrolling the tubule. It turns out that the tubule is energetically less stable than the strip when its radius is smaller than a critical value. The limiting radius is reached when the elastic energy stored in bending the strip exceeds the energy recovered from stitching its dangling bonds along the tubule generator. This criterion gives a critical radius of order 3 angstrom. A growth model proposed by Tibbetts for multilayer, hollow graphitic filaments is also discussed. The model indicates that filaments smaller than about 15 angstrom outer radius should preferably grow as single-layer tubules, while filaments larger than about 20 angstrom could accommodate an increasing number of cylindrical layers.