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Coronene Encapsulation in Single-Walled Carbon Nanotubes: Stacked Columns, Peapods, and Nanoribbons
Umeå University, Faculty of Science and Technology, Department of Physics.
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2014 (English)In: ChemPhysChem, ISSN 1439-4235, E-ISSN 1439-7641, Vol. 15, no 8, 1660-1665 p.Article in journal (Refereed) Published
Abstract [en]

Encapsulation of coronene inside single-walled carbon nanotubes (SWNTs) was studied under various conditions. Under high vacuum, two main types of molecular encapsulation were observed by using transmission electron microscopy: coronene dimers and molecular stacking columns perpendicular or tilted (45-608) with regard to the axis of the SWNTs. A relatively small number of short nanoribbons or polymerized coronene molecular chains were observed. However, experiments performed under an argon atmosphere (0.17 MPa) revealed reactions between the coronene molecules and the formation of hydrogen-terminated graphene nanoribbons. It was also observed that the morphology of the encapsulated products depend on the diameter of the SWNTs. The experimental results are explained by using density functional theory calculations through the energies of the coronene molecules inside the SWNTs, which depend on the orientation of the molecules and the diameter of the tubes.

Place, publisher, year, edition, pages
2014. Vol. 15, no 8, 1660-1665 p.
Keyword [en]
coronene, encapsulation, graphene, nanoribbons, nanotubes
National Category
Physical Sciences
URN: urn:nbn:se:umu:diva-89582DOI: 10.1002/cphc.201301200ISI: 000337521700018OAI: diva2:721630
Available from: 2014-06-04 Created: 2014-06-04 Last updated: 2014-07-23Bibliographically approved

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Talyzin, Alexandr
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