期刊
CHEMPHYSCHEM
卷 15, 期 8, 页码 1660-1665出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.201301200
关键词
coronene; encapsulation; graphene; nanoribbons; nanotubes
资金
- Swedish Research Council [621-2012-3654]
- Academy of Finland [263416, 218545]
- Finnish Funding Agency for Innovation (TEKES) (LiBACAM) [211247]
- Aalto Energy Efficiency Program (MOPPI) [9100212]
- European Union FP7 project (TREA-SORES) [672015]
- Academy of Finland (AKA) [218545, 218545] Funding Source: Academy of Finland (AKA)
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.
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