TITLE

Package of double helical bromine chains inside single-walled carbon nanotubes

AUTHOR(S)
Yao, Zhen; Liu, Chun Jian; Lv, Hang; Yang, Xi Bao
PUB. DATE
October 2016
SOURCE
Modern Physics Letters B;Oct2016, Vol. 30 Issue 29, p1
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The helicity of stable double helical bromine chains inside single-walled carbon nanotubes (SWCNTs) was studied through the calculation of systematic interaction energy, using the van der Waals interaction potential. The results presented clear images of stable double helical structures inside SWCNTs. The optimal helical radius and helical angle of chain structure increase and decrease, respectively, with the increase of tube radius. The detailed analysis indicated that some metastable structures in SWCNTs may also co-exist with the optimal structures, but not within the same tubes. In addition, a detailed simulation of X-ray diffraction patterns was performed for the obtained optimal helical structures.
ACCESSION #
119109286

 

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