Investigation of the interaction between graphene and fullerene C70: a molecular dynamics simulation.

Autor: Zhang, Danhui, Liu, Zhongkui, Yang, Houbo, Liang, Ruquan, Shi, Jianhui, Liu, Anmin
Zdroj: Indian Journal of Physics; May2021, Vol. 95 Issue 5, p851-856, 6p
Abstrakt: Recently, new carbon materials have drawn a wide attention to propel the development of nanotechnology. In this manuscript, the interaction between graphene sheet (GNS) and fullerene C70 has been investigated using force-field-based molecular dynamics simulations. These results show that the fullerene C70 can induce the self-assemble CNS to form a shell–core structure, and the van der Waals interaction and the offset face-to-face π–π stacking interaction play an important role in this process. Furthermore, the length of GNS and the number of fullerene C70 should meet some required conditions to guarantee the formation of shell–core configuration. Moreover, the position of fullerene C70 was also discussed in detail. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index
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