摘要
The helicity of stable single helical carbon chains and iodine chains inside single-walled carbon nanotubes（SWCNTs）is studied by calculating the systematic van der Waals interaction energy.The results show that the optimal helical radius increases linearly with increasing tube radius,which produces a constant separation between the chain structure and the tube wall.The helical angle exhibits a ladder-like decrease with increasing tube radius,indicating that a large tube can produce a small helicity in the helical structures.
The helicity of stable single helical carbon chains and iodine chains inside single-walled carbon nanotubes（SWCNTs）is studied by calculating the systematic van der Waals interaction energy.The results show that the optimal helical radius increases linearly with increasing tube radius,which produces a constant separation between the chain structure and the tube wall.The helical angle exhibits a ladder-like decrease with increasing tube radius,indicating that a large tube can produce a small helicity in the helical structures.
基金
Project supported by the National Basic Research Program of China(Grant No.2011CB808200)
the National Natural Science Foundation of China(Grant Nos.11504150 and 51320105007)
the Cheung Kong Scholars Program of China
