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      An experimental and theoretical examination of the effect of sulfur on the pyrolytically grown carbon nanotubes from sucrose-based solid state precursors

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      Author
      Kucukayan, G.
      Ovali, R.
      Ilday, S.
      Baykal, B.
      Yurdakul, H.
      Turan, S.
      Gulseren, O.
      Bengu, E.
      Date
      2011
      Source Title
      Carbon
      Print ISSN
      0008-6223
      Electronic ISSN
      1873-3891
      Publisher
      Elsevier
      Volume
      49
      Issue
      2
      Pages
      508 - 517
      Language
      English
      Type
      Article
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      Abstract
      Multi-walled carbon nanotubes (MWCNTs) were synthesized through pyrolysis of the sulfuric acid-carbonized byproduct of sucrose. While the presence of sulfur in the reaction media has a key role in the formation and population density of MWCNTs, we have not observed the formation of Y-junctions or encountered other novel carbon nanotube formations. Results indicate the presence of sulfur in catalyst particles trapped inside nanotubes, but failed to find sulfur in the side-walls of the CNTs. In order to verify and explain these findings, we analyzed the behavior of sulfur and its possible effects on the side-wall structure of CNTs by using density functional theory-based calculations on various atomic models depicting sulfur inclusion in the side-walls. The results of the computational study were in line with the experimental results and also provided a new perspective by suggesting that the defects such as pentagons may act as nucleation sites for the Y-branches. The results indicated that sulfur prefers to adsorb on these defective regions, but it is not responsible for the formation of these structures or defects.
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      http://hdl.handle.net/11693/22041
      Published Version (Please cite this version)
      http://dx.doi.org/10.1016/j.carbon.2010.09.050
      Collections
      • Department of Chemistry 594
      • Department of Physics 2299
      • Institute of Materials Science and Nanotechnology (UNAM) 1775
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