Comparison of noncovalent interactions of zigzag and armchair carbon nanotubes with heterocyclic and aromatic compounds: Imidazole and benzene, imidazophenazines, and tetracene
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DOI: 10.1016/j.chemphys.2016.11.011
Abstract: Abstract We study non-covalent functionalization of SWCNT by linear heterocyclic compounds such as imidazophenazine ( F1 ) and its derivatives ( F2 – F4 ). MP2 and DFT/M05-2X quantum-chemical methods are used to determine the… read more here.
Keywords: armchair carbon; interactions zigzag; armchair nanotubes; comparison noncovalent ... See more keywords
Magnetic properties of a single iron atomic chain encapsulated in armchair carbon nanotubes: A Monte Carlo study
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2017.01.101
Abstract: Abstract The magnetic properties have been investigated of FeCu x C 1− x for a Fe atom chain wrapped in armchair ( N,N ) carbon nanotubes ( N = 4,6,8,10,12) diluted by Cu 2+ ions using… read more here.
Keywords: chain; carbon; armchair carbon; magnetic properties ... See more keywords