The behavior of benzene confined in a single wall carbon nanotube

The behavior of benzene confined in a single wall carbon nanotube

© 2015 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 36(2015), 12 vom: 05. Mai, Seite 901-6
1. Verfasser: Fomin, Yury D (VerfasserIn)
Weitere Verfasser: Tsiok, Elena N, Ryzhov, Valentin N
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2015
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Benzene carbon nanotubes orientational order structure
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520 |a We present the molecular dynamics study of benzene molecules confined into the single wall carbon nanotube. The local structure and orientational ordering of benzene molecules are investigated. It is found that the molecules mostly group in the middle distance from the axis of the tube to the wall. The molecules located in the vicinity of the wall demonstrate some deviation from planar shape. There is a tilted orientational ordering of the molecules which depends on the location of the molecule. It is shown that the diffusion coefficient of the benzene molecules is very small at the conditions we report here 
650 4 |a Journal Article 
650 4 |a Benzene 
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650 4 |a orientational order 
650 4 |a structure 
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700 1 |a Ryzhov, Valentin N  |e verfasserin  |4 aut 
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